SCHEMBL9660296

SCHEMBL9660296

COC(=O)c1ccc(Cl)cc1SCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.53
POLB P06746 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
PRNP P04156 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NR4A2 P43354 2/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9660829 0.88 POLB (0.49) ABL1POLBHSD17B10CYP1A2SMN1; SMN2
SCHEMBL5226731 0.86 ABL1 (0.50) ABL1POLBHSD17B10CYP1A2SMN1; SMN2
SCHEMBL9660805 0.84 HSD17B10 (0.50) POLBHSD17B10CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9661037 0.84 KDM4E (0.54) POLBHSD17B10CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL28440107 0.82 ABL1 (0.56) ABL1POLBHSD17B10CYP1A2SMN1; SMN2
SCHEMBL4071201 0.80 ABL1 (0.60) ABL1POLBHSD17B10CYP1A2SMN1; SMN2
SCHEMBL11093884 0.79 MEN1 (0.50) POLBCYP1A2ALDH1A1CYP3A4TDP1
SCHEMBL25826611 0.78 ABL1 (0.63) ABL1HSD17B10CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9660330 0.78 HSD17B10 (0.77) POLBHSD17B10CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9658942 0.78 ALDH1A1 (0.53) POLBHSD17B10CYP1A2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed