SCHEMBL9465902

SCHEMBL9465902

OCCCc1cc(-c2ccc(Cl)cc2)n(C2=NCCS2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
MALT1 Q9UDY8 14/20 0.41
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL9466921 0.75 CNR2 (0.51) CNR2RXRARXRBRXRGMALT1
SCHEMBL9520169 0.75 RXRA (0.56) CNR2RXRARXRBRXRGMALT1
SCHEMBL9466137 0.74 CNR2 (0.46) CNR2RXRARXRBRXRGMALT1
SCHEMBL9466275 0.74 ALOX5 (0.50) CNR2RXRARXRBRXRGMALT1
SCHEMBL5387633 0.72 PTGS2 (0.69) RXRARXRBRXRGMALT1PTGS2
SCHEMBL5416591 0.70 PTGS2 (0.60) RXRARXRBRXRGMALT1PTGS2
SCHEMBL3237716 0.70 CNR2 (0.45) CNR2RXRARXRBRXRGMALT1
SCHEMBL9465750 0.69 CNR2 (0.43) CNR2RXRARXRBRXRGMALT1
SCHEMBL9466821 0.68 PTGS2 (0.47) CNR2RXRARXRBRXRGPTGS2
SCHEMBL9466824 0.67 ALDH1A1 (0.45) CNR2MALT1PTGS2ALOX5

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-5242940-A Antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-07 US disclosed