SCHEMBL9857002

SCHEMBL9857002

O=C(O)CCCCCc1ccccc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.59
CYSLTR1 Q9Y271 11/20 0.59
FFAR1 O14842 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
S1PR1 P21453 3/20 0.56
S1PR3 Q99500 1/20 0.56
S1PR5 Q9H228 1/20 0.56
SLC16A3 O15427 2/20 0.54
PLK1 P53350 1/20 0.53

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
SCHEMBL9857021 0.93 FFAR1 (0.63) CYSLTR2CYSLTR1FFAR1NR1H4S1PR1
SCHEMBL9713341 0.88 SLC16A3 (0.54) CYSLTR2CYSLTR1NR1H4SLC16A3PLK1
SCHEMBL9348939 0.86 ADRA1D (0.60) CYSLTR2CYSLTR1FFAR1NR1H4S1PR1
SCHEMBL9857643 0.84 PLK1 (0.53) CYSLTR2CYSLTR1FFAR1NR1H4SLC16A3
SCHEMBL9857410 0.83 NR1H4 (0.53) CYSLTR2CYSLTR1NR1H4SLC16A3PLK1
SCHEMBL9351817 0.82 ADRA1D (0.59) CYSLTR2CYSLTR1FFAR1NR1H4S1PR1
SCHEMBL9713671 0.82 NR1H4 (0.64) CYSLTR2CYSLTR1FFAR1NR1H4PLK1
SCHEMBL9857414 0.80 NR1H4 (0.59) CYSLTR2CYSLTR1FFAR1NR1H4PLK1
SCHEMBL10746097 0.79 PPARG (0.56) CYSLTR2CYSLTR1NR1H4SLC16A3PLK1
SCHEMBL10719026 0.79 NR1H4 (0.55) CYSLTR2CYSLTR1FFAR1NR1H4S1PR1

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