SCHEMBL9713608

SCHEMBL9713608

O=C(O)CCc1ccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c(OCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.61
NR1H4 Q96RI1 1/20 0.55
S1PR1 P21453 4/20 0.52
S1PR3 Q99500 2/20 0.51
S1PR5 Q9H228 1/20 0.51
CYSLTR2 Q9NS75 10/20 0.50
CYSLTR1 Q9Y271 9/20 0.50
PLA2G4B P0C869 1/20 0.47
CACNA1H O95180 1/20 0.47

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
SCHEMBL9714326 0.90 NR1H4 (0.65) FFAR1NR1H4S1PR1CYSLTR2CYSLTR1
SCHEMBL9857414 0.87 NR1H4 (0.59) FFAR1NR1H4CYSLTR2CYSLTR1PLA2G4B
SCHEMBL9857383 0.85 NR1H4 (0.50) FFAR1NR1H4CYSLTR2CYSLTR1
SCHEMBL9857436 0.84 NR1H4 (0.65) FFAR1NR1H4S1PR1CYSLTR2CYSLTR1
SCHEMBL9713433 0.84 NR1H4 (0.59) FFAR1NR1H4S1PR1CYSLTR2CYSLTR1
SCHEMBL9856976 0.83 NR1H4 (0.54) FFAR1NR1H4CYSLTR2CYSLTR1PLA2G4B
SCHEMBL9857010 0.83 NR1H4 (0.56) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL9857064 0.83 NR1H4 (0.56) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL9857614 0.82 NR1H4 (0.55) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL9713448 0.82 NR1H4 (0.57) FFAR1NR1H4S1PR1CYSLTR2CYSLTR1

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