SCHEMBL9752885

SCHEMBL9752885

Sc1ccc2cccc(S)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 7/20 0.38
CYP2A6 P11509 4/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1B1 Q16678 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 8/20 0.35
PSMD14 O00487 2/20 0.35
COPS5 Q92905 2/20 0.35
HPRT1 P00492 2/20 0.35
HPGD P15428 4/20 0.33
CYP3A4 P08684 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
THRB P10828 1/20 0.32
KEAP1 Q14145 1/20 0.31
CYP2D6 P10635 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
SCHEMBL31452860 1.00 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8431284 0.81 ALDH1A1 (0.32) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7756731 0.81 CYP1A2 (0.35) ALDH1A1HSD17B10CYP2A6TSHRCYP1B1
SCHEMBL25412417 0.81 CYP1A2 (0.35) ALDH1A1HSD17B10CYP2A6TSHRCYP1B1
SCHEMBL30772980 0.81 CYP1A2 (0.35) ALDH1A1HSD17B10CYP2A6TSHRCYP1B1
SCHEMBL10785261 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL15352137 0.77 CYP2A6 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL9718615 0.77 CTDSP1 (0.59) ALDH1A1HSD17B10TSHRTDP1CYP1A2
SCHEMBL15352146 0.77 CYP2A6 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL15352343 0.77 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016050788-A1 COSMETIC PROCESS FOR ATTENUATING WRINKLES L'OREAL (FR) 2016-04-07 WO claimed
WO-2016050786-A1 COSMETIC PROCESS FOR ATTENUATING WRINKLES L'OREAL (FR) 2016-04-07 WO claimed
US-20240228780-A1 Polydisulfide Polymer ABEAM TECH INC (US) 2024-07-11 US disclosed
EP-3916072-B1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-05-11 EP disclosed
US-20180371245-A1 Polydisulfide Polymer ABEAM TECH INC (US) 2018-12-27 US disclosed
WO-1991009441-A1 LIQUID CRYSTAL POLYMER FOR ELECTRIC COMPONENT INSULATION THE SUPERIOR ELECTRIC COMPANY (US) 1991-06-27 WO disclosed