SCHEMBL9713671

SCHEMBL9713671

O=C(Nc1ccccc1O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.64
CYSLTR1 Q9Y271 12/20 0.60
CYSLTR2 Q9NS75 10/20 0.60
PLK1 P53350 2/20 0.56
PLA2G4B P0C869 1/20 0.55
FFAR1 O14842 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CASP3 P42574 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
PGR P06401 1/20 0.52
HTR1A P08908 1/20 0.52
AR P10275 1/20 0.52
CHRM1 P11229 1/20 0.52

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
SCHEMBL9857076 0.86 NR1H4 (0.60) NR1H4CYSLTR1CYSLTR2PLA2G4BFFAR1
SCHEMBL9713250 0.86 KCNMA1 (0.62) NR1H4CYSLTR1CYSLTR2PLA2G4BFFAR1
SCHEMBL9713649 0.86 NR1H4 (0.63) NR1H4CYSLTR1CYSLTR2PLK1PLA2G4B
SCHEMBL9713930 0.86 KCNMA1 (0.62) NR1H4CYSLTR1CYSLTR2PLK1FFAR1
SCHEMBL9857044 0.85 NR1H4 (0.59) NR1H4CYSLTR1CYSLTR2PLK1FFAR1
SCHEMBL3088276 0.85 NR1H4 (0.61) NR1H4CYSLTR1CYSLTR2PLK1PLA2G4B
SCHEMBL9856852 0.84 NR1H4 (0.58) NR1H4CYSLTR1CYSLTR2PLK1FFAR1
SCHEMBL9857339 0.84 NR1H4 (0.58) NR1H4CYSLTR1CYSLTR2PLA2G4BFFAR1
SCHEMBL9857323 0.84 NR1H4 (0.58) NR1H4CYSLTR1CYSLTR2PLK1PLA2G4B
SCHEMBL9713903 0.84 PLK1 (0.74) NR1H4PLK1PLA2G4BMEN1KMT2A

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 5 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 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