SCHEMBL9540989

SCHEMBL9540989

CCOC(=O)CCc1cc2cc(OC)c(OC)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 11/20 0.56
TNF P01375 3/20 0.44
ACHE P22303 5/20 0.44

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
SCHEMBL9539787 0.83 STING1 (0.63) STING1ACHE
SCHEMBL9538700 0.82 STING1 (0.49) STING1ACHE
SCHEMBL20022337 0.81 STING1 (0.81) STING1ACHE
SCHEMBL30820009 0.81 STING1 (0.81) STING1ACHE
SCHEMBL3913357 0.78 KDM4E (0.47) STING1
SCHEMBL24175420 0.78 STING1 (0.60) STING1ACHE
SCHEMBL9743497 0.78 CYP4F2 (0.49)
SCHEMBL24451423 0.76 STING1 (0.60) STING1ACHE
SCHEMBL28490631 0.76 STING1 (0.60) STING1ACHE
SCHEMBL20022223 0.76 STING1 (0.66) 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