SCHEMBL9538461

SCHEMBL9538461

CCOc1cc2cc(CCC(=O)O)sc2cc1OCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.47
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SLC22A12 Q96S37 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9540660 0.86 CYP3A4 (0.39) STING1TSHRCYP3A4
SCHEMBL9538537 0.85 STING1 (0.43) STING1TSHRHSD17B10CYP3A4GLA
SCHEMBL9539787 0.85 STING1 (0.63) STING1
SCHEMBL9537019 0.83 STING1 (0.42) STING1TSHRHSD17B10
SCHEMBL9540466 0.80 PPARG (0.40) STING1TSHRCYP3A4
SCHEMBL9541062 0.79 STING1 (0.36) STING1TSHRHSD17B10CYP3A4TP53
SCHEMBL9538258 0.79 CYP2A6 (0.44) STING1TSHRHSD17B10CYP3A4TP53
SCHEMBL24175420 0.77 STING1 (0.60) STING1
SCHEMBL9538199 0.77 TDP1 (0.42) STING1TSHRL3MBTL1
SCHEMBL9537166 0.77 STING1 (0.33) STING1TSHRHSD17B10

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
WO-1993005033-A1 BENZO[b]THIOPHENE DERIVATES, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 WO disclosed