SCHEMBL3340064

SCHEMBL3340064

CCCCCCCCCc1c(C(=O)O)sc2cc(Br)ccc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.56
MCL1 Q07820 10/20 0.47
BCL2L1 Q07817 5/20 0.47
BCL2 P10415 4/20 0.47
BAD Q92934 4/20 0.47
OXER1 Q8TDS5 1/20 0.38
KAT8 Q9H7Z6 1/20 0.37

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
SCHEMBL1547808 0.86 MAPT (0.44) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL1254639 0.85 GPR35 (0.62) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL1254637 0.85 GPR35 (0.62) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL18791335 0.84 RXFP1 (0.47) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL1547804 0.81 GPR35 (0.36) GPR35OXER1
SCHEMBL4652863 0.79 GPR35 (0.59) GPR35MCL1BCL2L1BCL2BAD
Bromide SCHEMBL1548397 0.77 GPR35 (0.34) GPR35OXER1
SCHEMBL1548398 0.76 GPR35 (0.33) GPR35OXER1
SCHEMBL2895958 0.76 GPR35 (0.58) GPR35MCL1BCL2L1
SCHEMBL1519030 0.76 GPR35 (0.37) GPR35OXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136973-A1 POLYBENZOTHIOPHENE POLYMERS AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2011-06-09 US disclosed
WO-2010018081-A1 POLYBENZOTHIOPHENE POLYMERS AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2010-02-18 WO disclosed
WO-2010018081-A1 POLYBENZOTHIOPHENE POLYMERS AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2010-02-18 WO disclosed