SCHEMBL8203371

SCHEMBL8203371

C=C(S/C=C(\N)C(C)C)c1cc(O)c2ccc(OC)c(C)c2n1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL12070943 0.75 GPR35 (0.40) GPR35
SCHEMBL561626 0.70 GPR35 (0.47) GPR35
SCHEMBL2624139 0.69 GPR35 (0.36) GPR35
SCHEMBL13637175 0.69 GPR35 (0.40) GPR35
SCHEMBL6875131 0.67 MAPT (0.40) GPR35
SCHEMBL14392924 0.67 GPR35 (0.44) GPR35
SCHEMBL10082469 0.62 PDE4D (0.40) GPR35
SCHEMBL1952047 0.62 USP2 (0.39) GPR35
SCHEMBL3627208 0.62 TDO2 (0.51)
SCHEMBL997481 0.62 ADORA2A (0.33) GPR35

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113859-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-09-22 WO disclosed
WO-2008096002-A1 HCV INHIBITING MACROCYCLIC PHOSPHONATES AND AMIDOPHOSPHATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed