SCHEMBL9174080

SCHEMBL9174080

CCCCCCCCCCCCSSSSCCCCCCCCCCCCc1nnc(CCCCCCCCCCCCSSSSCCCCCCCCCCCC)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 3/20 0.42
CYP2C9 P11712 1/20 0.39
RAB9A P51151 3/20 0.37
DNMT1 P26358 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
GAPDH P04406 1/20 0.35
ALOX15 P16050 1/20 0.35
NR4A1 P22736 1/20 0.35
APEX1 P27695 1/20 0.35
PTPN7 P35236 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10387571 1.00 ALDH1A1 (0.58) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL9174125 0.96 ALDH1A1 (0.58) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL9170895 0.96 ALDH1A1 (0.58) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL10386833 0.92 ALDH1A1 (0.61) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL9170845 0.92 ALDH1A1 (0.61) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL6553986 0.86 ALDH1A1 (0.73) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL31244838 0.86 ALDH1A1 (0.73) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL22368217 0.86 ALDH1A1 (0.73) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL6406054 0.84 ALDH1A1 (0.69) ALDH1A1NPSR1POLBCYP2C9RAB9A
SCHEMBL11350127 0.81 ALDH1A1 (0.53) ALDH1A1NPSR1POLBCYP2C9RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4623474-A EXTREME PRESSURE LUBRICANTS UNION OIL COMPANY OF CALIFORNIA (US) 1986-11-18 US claimed
US-4533480-A EXTREME PRESSURE, ANTI-WEAR AND FRICTION REDUCING LUBRICANT UNION OIL COMPANY OF CALIFORNIA (US) 1985-08-06 US claimed
US-4490265-A BORON-CONTAINING HETEROCYCLIC ADDITIVES, POLYSULFIDE DERIVATIVES OF 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES AND BISDITHIOBENZIL METAL COMPONENTS UNION OIL COMPANY OF CALIFORNIA (US) 1984-12-25 US claimed
US-4412928-A Corrosion inhibitors for boron-containing lubricants UNION OIL COMPANY OF CALIFORNIA (US) 1983-11-01 US claimed
US-4410436-A TEREPHTHALIC ACID, POLYSULFIDE DERIVATIVE OF 2,5-DIMERCAPTO-1,3,4- THIADIAZOLE UNION OIL COMPANY OF CALIFORNIA (US) 1983-10-18 US claimed
EP-0391649-B1 Improved ashless lubricant compositions for internal combustion engines EXXON CHEMICAL PATENTS INC (US) 1995-05-17 EP disclosed
US-4892670-A ANTIWEAR LUBRICATING OIL CONTAINING A COPPER CARBOXYLATE AND A BORON HETEROCYCLIC COMPOUND UNION OIL COMPANY OF CALIFORNIA (US) 1990-01-09 US disclosed
EP-0314843-A1 Additives for lubricating oils, and lubricating oils containing such additives UNION OIL COMPANY OF CALIFORNIA (US) 1989-05-10 EP disclosed
US-4801729-A BORON CONTAINING HETEROCYCLIC COMPOUND UNION OIL COMPANY OF CALIFORNIA (US) 1989-01-31 US disclosed
US-4756842-A Boron, nitrogen, oxygen heterocyclic ring-containing compound UNION OIL COMPANY OF CALIFORNIA (US) 1988-07-12 US disclosed
US-4724099-A REACTION PRODUCT OF ESTER OF A POLYHYDRIC ALCOHOL AND A BORON-CONTAINING HETEROCYCLIC COMPOUND; EXTREME PRESSURE LUBRICANTS; AUTOMATIC TRANSMISSION FLUIDS UNION OIL COMPANY OF CALIFORNIA (US) 1988-02-09 US disclosed
US-4657686-A BLEND OF OIL, BORON-CONTAINING HETEROCYCLIC COMPOUND, POLYSULFIDE DERIVATIVE OF 1,3,4-THIODIAZOLE, TEREPHTHALIC ACID AND DISULFIDE BIS HINDERED PHENOL UNION OIL COMPANY OF CALIFORNIA (US) 1987-04-14 US disclosed
US-4557843-A FOR CORROSION, OXIDATION AND WEAR RESISTANCE UNION OIL COMPANY OF CALIFORNIA (US) 1985-12-10 US disclosed
EP-0120036-A4 BORON-CONTAINING HETEROCYCLIC COMPOUNDS AND LUBRICATING OILS CONTAINING SAME. UNION OIL CO (US) 1985-10-14 EP disclosed
US-4533480-A EXTREME PRESSURE, ANTI-WEAR AND FRICTION REDUCING LUBRICANT UNION OIL COMPANY OF CALIFORNIA (US) 1985-08-06 US disclosed
US-4490265-A BORON-CONTAINING HETEROCYCLIC ADDITIVES, POLYSULFIDE DERIVATIVES OF 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES AND BISDITHIOBENZIL METAL COMPONENTS UNION OIL COMPANY OF CALIFORNIA (US) 1984-12-25 US disclosed
EP-0120036-A1 BORON-CONTAINING HETEROCYCLIC COMPOUNDS AND LUBRICATING OILS CONTAINING SAME UNION OIL COMPANY OF CALIFORNIA (US) 1984-10-03 EP disclosed
WO-1984001169-A1 BORON-CONTAINING HETEROCYCLIC COMPOUNDS AND LUBRICATING OILS CONTAINING SAME UNION OIL CO (US) 1984-03-29 WO disclosed
US-4427560-A BIS/DITHIOBEZIL/ METAL DERIVATIVE AND A POLYSULFIDE DERIVATIVE OF 2,5-DIMERCAPTO-1,3,4-THIADIAZOLE UNION OIL COMPANY OF CALIFORNIA (US) 1984-01-24 US disclosed
US-4412928-A Corrosion inhibitors for boron-containing lubricants UNION OIL COMPANY OF CALIFORNIA (US) 1983-11-01 US disclosed