SCHEMBL9713634

SCHEMBL9713634

O=C(O)CNc1ccc(OCC(=O)O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.57
CYSLTR1 Q9Y271 10/20 0.47
PLA2G4B P0C869 1/20 0.47
CYSLTR2 Q9NS75 8/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
AR P10275 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
ADORA1 P30542 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GPR17 Q13304 1/20 0.46

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
SCHEMBL9713751 0.90 NR1H4 (0.58) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
SCHEMBL9713622 0.90 NR1H4 (0.58) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
SCHEMBL9713433 0.89 NR1H4 (0.59) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
SCHEMBL9857436 0.89 NR1H4 (0.65) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
SCHEMBL9857446 0.89 NR1H4 (0.55) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
SCHEMBL9713633 0.88 NR1H4 (0.56) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
Hydrochloric Acid SCHEMBL9857377 0.87 NR1H4 (0.55) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
SCHEMBL9713448 0.87 NR1H4 (0.57) NR1H4CYSLTR1PLA2G4BCYSLTR2ABCC4
SCHEMBL9713575 0.87 NR1H4 (0.51) NR1H4CYSLTR1CYSLTR2ABCC4ABCB11
SCHEMBL9713330 0.86 NR1H4 (0.55) NR1H4CYSLTR1CYSLTR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US claimed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed