SCHEMBL9537019

SCHEMBL9537019

CCOc1cc2cc(CSCCC(=O)O)sc2cc1OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL9539413 0.87 STING1 (0.56) STING1HPGD
SCHEMBL9538461 0.83 STING1 (0.47) STING1TSHRHSD17B10
SCHEMBL9538537 0.80 STING1 (0.43) STING1ALDH1A1TSHRHSD17B10
SCHEMBL9538258 0.73 CYP2A6 (0.44) STING1ALDH1A1MAPTTSHRHSD17B10
SCHEMBL9540660 0.73 CYP3A4 (0.39) STING1TSHR
SCHEMBL9541789 0.71 TSHR (0.40) STING1TSHRHSD17B10LMNA
Tibenelast SCHEMBL449748 0.71 STING1 (0.54) STING1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL9541014 0.70 ALDH1A1 (0.36) STING1ALDH1A1MAPTHPGDTSHR
SCHEMBL9540466 0.70 PPARG (0.40) STING1TSHR
SCHEMBL8378668 0.70 STING1 (0.44) 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