SCHEMBL28415802

SCHEMBL28415802

CCCCOc1ccc(-c2ccc(C(=O)Nc3cccc4c(=O)cc(C(N)=O)oc34)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.75
CYSLTR2 Q9NS75 10/20 0.62
CYSLTR1 Q9Y271 10/20 0.62
GPR55 Q9Y2T6 1/20 0.52
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
PGR P06401 1/20 0.51
HTR1A P08908 1/20 0.51
AR P10275 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
ADORA1 P30542 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
GPR17 Q13304 1/20 0.51

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
SCHEMBL7899223 0.90 GPR35 (0.76) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL7896327 0.87 GPR35 (0.72) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL7889272 0.87 GPR35 (0.72) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL7896992 0.87 GPR35 (0.81) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL8121976 0.87 GPR35 (0.69) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL6961588 0.86 GPR35 (0.73) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL4250595 0.86 CYSLTR2 (0.68) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL28891400 0.84 GPR35 (0.65) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL6951044 0.84 GPR35 (0.70) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL6960445 0.84 GPR35 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938052-A Industrial preparation method of intermediate of pranlukast as anti-asthma drug 重庆圣华曦药业股份有限公司 2020-03-31 CN claimed
CN-110938052-A Industrial preparation method of intermediate of pranlukast as anti-asthma drug 重庆圣华曦药业股份有限公司 2020-03-31 CN disclosed