SCHEMBL8107145

SCHEMBL8107145

CCOC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc(OCCCc4ccccc4)cc3)c2o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 10/20 0.70
CYSLTR2 Q9NS75 9/20 0.64
CYSLTR1 Q9Y271 9/20 0.64
ABCC4 O15439 1/20 0.61
ABCB11 O95342 1/20 0.61
PGR P06401 1/20 0.61
HTR1A P08908 1/20 0.61
AR P10275 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
PDE4A P27815 1/20 0.61
ADORA1 P30542 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
GPR17 Q13304 1/20 0.61
NR1H4 Q96RI1 1/20 0.61

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
SCHEMBL4254475 0.97 GPR35 (0.69) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL8108390 0.92 GPR35 (0.70) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL4255927 0.89 GPR35 (0.69) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL8121976 0.87 GPR35 (0.69) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL8106555 0.87 GPR35 (0.66) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL4250595 0.85 CYSLTR2 (0.68) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL6956132 0.84 CYSLTR2 (0.67) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL8121606 0.83 POLB (0.54) GPR35CYSLTR2CYSLTR1NR1H4
SCHEMBL6956128 0.83 CYSLTR2 (0.66) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL7889217 0.82 CYSLTR2 (0.65) GPR35CYSLTR2CYSLTR1ABCC4ABCB11

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
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed