SCHEMBL9714007

SCHEMBL9714007

O=C(O)C=Cc1ccccc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.57
CYSLTR2 Q9NS75 12/20 0.52
CYSLTR1 Q9Y271 12/20 0.52
PLK1 P53350 1/20 0.50
PLA2G4B P0C869 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
FFAR1 O14842 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PGR P06401 1/20 0.48
HTR1A P08908 1/20 0.48
AR P10275 1/20 0.48
CHRM1 P11229 1/20 0.48

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
SCHEMBL9714011 1.00 NR1H4 (0.57) NR1H4CYSLTR2CYSLTR1PLK1PLA2G4B
SCHEMBL9713103 0.88 NR1H4 (0.52) NR1H4CYSLTR2CYSLTR1PLK1NPC1
SCHEMBL9713108 0.88 NR1H4 (0.52) NR1H4CYSLTR2CYSLTR1PLK1NPC1
SCHEMBL9713671 0.82 NR1H4 (0.64) NR1H4CYSLTR2CYSLTR1PLK1PLA2G4B
SCHEMBL5429856 0.78 SNCA (0.62) NPC1RAB9AMEN1KMT2ASNCA
SCHEMBL18046509 0.78 SNCA (0.62) NPC1RAB9AMEN1KMT2ASNCA
SCHEMBL9857414 0.78 NR1H4 (0.59) NR1H4CYSLTR2CYSLTR1PLK1PLA2G4B
SCHEMBL9857021 0.78 FFAR1 (0.63) NR1H4CYSLTR2CYSLTR1PLK1FFAR1
SCHEMBL9713012 0.77 PLK1 (0.52) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL9713020 0.77 PLK1 (0.52) PLK1NPC1RAB9AMEN1KMT2A

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 8 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 claimed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP claimed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO claimed
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
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