SCHEMBL321731

SCHEMBL321731

CCCCCCCCc1c2cc([Sn](C)(C)C)sc2c(CCCCCCCC)c2sc([Sn](C)(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.40
ALOX5 P09917 5/20 0.33
PTGS2 P35354 2/20 0.33
SRC P12931 1/20 0.31
CYP19A1 P11511 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL320889 0.95 GPR35 (0.38) GPR35ALOX5PTGS2SRCCYP19A1
SCHEMBL16322529 0.95 GPR35 (0.38) GPR35ALOX5PTGS2SRCCYP19A1
SCHEMBL2398006 0.95 GPR35 (0.38) GPR35ALOX5PTGS2SRCCYP19A1
SCHEMBL11023380 0.84 GPR35 (0.33) GPR35
SCHEMBL16321988 0.84 LMNA (0.32) GPR35
SCHEMBL15153800 0.78 LMNA (0.32)
SCHEMBL3472128 0.77 SIGMAR1 (0.39)
SCHEMBL12821692 0.77 GPR35 (0.32) GPR35PTGS2
SCHEMBL19206977 0.76 GPR35 (0.36) GPR35ALOX5LIPG
SCHEMBL14706992 0.75 GPR35 (0.43) GPR35ALOX5PTGS2SRCCYP19A1

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
EP-2590986-A2 SEMICONDUCTING POLYMERS Merck Patent GmbH (DE) 2013-05-15 EP disclosed
WO-2012003919-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed