SCHEMBL9713562

SCHEMBL9713562

O=C(O)COc1ccccc1OCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.64
S1PR1 P21453 4/20 0.56
FFAR4 Q5NUL3 1/20 0.56
S1PR3 Q99500 2/20 0.55
S1PR5 Q9H228 1/20 0.55
PLA2G4B P0C869 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
ALOX5 P09917 1/20 0.49

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
SCHEMBL1747055 0.86 FFAR1 (0.74) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL9739385 0.86 ABCB1 (0.55) FFAR1PLA2G4BLTA4H
SCHEMBL27588900 0.82 FFAR1 (0.69) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL9713432 0.82 LTA4H (0.57) FFAR1S1PR1FFAR4S1PR3S1PR5
SCHEMBL1746597 0.79 FFAR1 (1.00) FFAR1S1PR1FFAR4S1PR3S1PR5
SCHEMBL9857414 0.78 NR1H4 (0.59) FFAR1PLA2G4BCYSLTR2CYSLTR1
SCHEMBL9856969 0.78 ALDH1A1 (0.58) FFAR1S1PR1S1PR3S1PR5
SCHEMBL11262209 0.78 HTR1A (0.58) LTA4HEPHX2PTGER1PTGER4PTGER3
SCHEMBL27606882 0.78 FFAR1 (0.68) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL4656572 0.77 FFAR1 (0.97) FFAR1S1PR1FFAR4S1PR3S1PR5

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