SCHEMBL9539787

SCHEMBL9539787

COc1cc2cc(CCC(=O)O)sc2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.63
ACHE P22303 1/20 0.47

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
SCHEMBL24175420 0.91 STING1 (0.60) STING1ACHE
SCHEMBL9538461 0.85 STING1 (0.47) STING1
SCHEMBL9538714 0.84 STING1 (0.58) STING1
SCHEMBL9538700 0.84 STING1 (0.49) STING1ACHE
SCHEMBL9540989 0.83 STING1 (0.56) STING1ACHE
SCHEMBL9539413 0.82 STING1 (0.56) STING1
SCHEMBL29119979 0.81 STING1 (0.50) STING1ACHE
SCHEMBL23480161 0.80 STING1 (0.68) STING1ACHE
SCHEMBL20049326 0.80 STING1 (0.61) STING1
SCHEMBL7029339 0.78 STING1 (0.51) STING1ACHE

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