SCHEMBL7559109

SCHEMBL7559109

CCCCCCCCCCCCc1ccc(O)c(Sc2cc(CCCCCCCCCCCC)ccc2O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.58
PTGS2 P35354 3/20 0.55
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55

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
SCHEMBL11579827 1.00 KAT8 (0.58) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL3450580 1.00 KAT8 (0.58) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL29695919 1.00 KAT8 (0.58) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL29387342 1.00 KAT8 (0.58) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL40120 1.00 KAT8 (0.58) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11705796 1.00 KAT8 (0.58) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1602138 0.98 KAT8 (0.56) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11580090 0.98 KAT8 (0.55) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL12278460 0.94 KAT8 (0.52) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL9804152 0.93 HPGD (0.53) KAT8PTGS2ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002078970-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
WO-2002068206-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-09-06 WO disclosed
EP-0323086-B1 Process for preparing detergents EXXON CHEMICAL PATENTS INC (US) 1994-06-08 EP disclosed
US-5281570-A Heat sensitive sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-01-25 US disclosed
US-4957642-A REACTION OF MAGNESIUM COMPOUND AND A PHENOL, FREE OF INORGANIC HALIDE CATALYST EXXON CHEMICAL PATENTS INC. (US) 1990-09-18 US disclosed
EP-0323086-A2 Process for preparing detergents EXXON CHEMICAL PATENTS INC. (US) 1989-07-05 EP disclosed
US-4312522-A A 2,2*-BISPHENOL SULFIDE, SULFOXIDE, OR SULFONE AS DEVELOPER MITSUI TOATSU CHEMICALS, INC. (JP) 1982-01-26 US disclosed
EP-0024885-A1 Heat sensitive recording sheet MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-03-11 EP disclosed
US-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed