SCHEMBL11087396

SCHEMBL11087396

Nc1c(CC(=O)O)cccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP3A5 P20815 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CXCL8 P10145 1/20 0.49
▸ HTR2A P28223 5/20 0.48
▸ SLC6A4 P31645 5/20 0.48
▸ KCNH2 Q12809 4/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KMO O15229 1/20 0.48
▸ CHRM1 P11229 1/20 0.47
▸ CAMK2A Q9UQM7 3/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ FABP5 Q01469 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ CCR3 P51677 1/20 0.40

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
SCHEMBL11092316 0.87 CYP3A4 (0.50) CYP3A4CYP2D6CYP3A5CYP2C19HTR2A
SCHEMBL11094079 0.84 CYP3A4 (0.50) CYP3A4CYP2D6CYP3A5CYP2C19HTR2A
SCHEMBL11093766 0.84 CHRM1 (0.49) CXCL8SLC6A4SLC6A2SLC6A3CHRM1
SCHEMBL11089473 0.83 GAA (0.51) CYP3A4CYP2C19CXCL8CHRM1CAMK2A
SCHEMBL11481740 0.82 CAMK2A (0.55) CYP2C19CXCL8CHRM1CAMK2AFABP4
SCHEMBL11092953 0.82 HTR2A (0.49) CXCL8HTR2ASLC6A4KCNH2CHRM1
SCHEMBL11095059 0.81 CXCL8 (0.56) CYP2C19CXCL8CHRM1CAMK2AFABP4
SCHEMBL11084311 0.81 CXCL8 (0.75) CXCL8SLC6A4SLC6A2SLC6A3CHRM1
SCHEMBL22654316 0.80 LMNA (0.57) CYP2C19CXCL8SLC6A4SLC6A2SLC6A3
SCHEMBL11089469 0.80 CXCL8 (0.60) CXCL8CHRM1CAMK2AFABP4FABP5

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-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 — — US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 — — EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 — — EP disclosed
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