SCHEMBL9856719

SCHEMBL9856719

COC(=O)c1ccc(CCC(=O)O)cc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.60
NR1H4 Q96RI1 2/20 0.54
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
CYSLTR2 Q9NS75 9/20 0.49
CYSLTR1 Q9Y271 8/20 0.49
PLK1 P53350 3/20 0.48
PLK3 Q9H4B4 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
SCHEMBL2268362 0.84 NR1H4 (0.54) NR1H4PLK1PLK3
SCHEMBL9713608 0.82 FFAR1 (0.61) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL9857044 0.81 NR1H4 (0.59) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL2269617 0.80 KDM4E (0.54) NR1H4
SCHEMBL9856852 0.80 NR1H4 (0.58) FFAR1NR1H4CYSLTR2CYSLTR1PLK1
SCHEMBL9857021 0.79 FFAR1 (0.63) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL9713940 0.79 NR1H4 (0.52) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL9857614 0.78 NR1H4 (0.55) FFAR1NR1H4S1PR1S1PR3S1PR5
SCHEMBL1746597 0.77 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5
SCHEMBL9856976 0.77 NR1H4 (0.54) FFAR1NR1H4CYSLTR2CYSLTR1PLK1

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-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