SCHEMBL7923754

SCHEMBL7923754

[O-][S+]1c2ccccc2Cc2c(OCCO)cccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 2/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
S1PR5 Q9H228 5/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
AR P10275 1/20 0.31
KEAP1 Q14145 1/20 0.31
POLB P06746 1/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL1254779 0.86 S1PR5 (0.32) S1PR5HTR1DHTR1B
SCHEMBL7051377 0.86 HTR1D (0.36) S1PR5MEN1KMT2AHTR1DHTR1B
SCHEMBL15549098 0.85 LMNA (0.47) S1PR5LMNA
SCHEMBL3252494 0.83 ALDH1A1 (0.41) ALDH1A1RECQLLMNAHTTMEN1
SCHEMBL11169384 0.82 S1PR5 (0.33) S1PR5LMNAMEN1KMT2A
SCHEMBL10348193 0.81 S1PR5 (0.33) S1PR5LMNAMEN1KMT2A
SCHEMBL915852 0.81 CD69 (0.47) ALDH1A1POLB
Hydrochloric Acid SCHEMBL17963732 0.80 CD69 (0.46) ALDH1A1POLB
SCHEMBL8678308 0.78 HTR1A (0.31) S1PR5HTR1DHTR1B
SCHEMBL2789111 0.78 DRD2 (0.48)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245922-B1 PREPARED BY REACTING AN ELECTROPHILIC 2-ALKENYL AZALACTONE WITH A NUCLEOPHILIC AROMATIC KETONE; CAN BE COPOLYMERIZED WITH ACRYLIC MONOMERS AND PHOTOACTIVATED BY ACTINIC RADIATION TO CROSSLINK THE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2001-06-12 US disclosed
EP-0837844-B1 ACRYLAMIDE DERIVATIVES AS CHROMOPHORIC PHOTOCROSSLINKING COMPOUND MINNESOTA MINING & MFG (US) 2000-04-05 EP disclosed
EP-0837844-A1 ACRYLAMIDE DERIVATIVES AS CHROMOPHORIC PHOTOCROSSLINKING COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-29 EP disclosed
WO-1997005101-A1 ACRYLAMIDE DERIVATIVES AS CHROMOPHORIC PHOTOCROSSLINKING COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-02-13 WO disclosed