SCHEMBL9857010

SCHEMBL9857010

O=C(O)COc1ccc(CO)cc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
FFAR1 O14842 2/20 0.50
PLA2G4B P0C869 1/20 0.48
S1PR1 P21453 3/20 0.47
CYSLTR2 Q9NS75 9/20 0.47
CYSLTR1 Q9Y271 9/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
ADORA1 P30542 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 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
SCHEMBL9857064 0.92 NR1H4 (0.56) NR1H4FFAR1PLA2G4BS1PR1CYSLTR2
SCHEMBL9857614 0.91 NR1H4 (0.55) NR1H4FFAR1PLA2G4BS1PR1CYSLTR2
SCHEMBL9857436 0.91 NR1H4 (0.65) NR1H4FFAR1PLA2G4BS1PR1CYSLTR2
SCHEMBL9713433 0.91 NR1H4 (0.59) NR1H4FFAR1PLA2G4BS1PR1CYSLTR2
SCHEMBL9856976 0.90 NR1H4 (0.54) NR1H4FFAR1PLA2G4BCYSLTR2CYSLTR1
SCHEMBL9713339 0.89 NR1H4 (0.53) NR1H4FFAR1PLA2G4BS1PR1CYSLTR2
SCHEMBL9713448 0.89 NR1H4 (0.57) NR1H4FFAR1PLA2G4BS1PR1CYSLTR2
SCHEMBL9712885 0.89 NR1H4 (0.51) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9713529 0.88 NR1H4 (0.59) NR1H4FFAR1PLA2G4BCYSLTR2CYSLTR1
SCHEMBL9713290 0.88 NR1H4 (0.56) NR1H4FFAR1PLA2G4BS1PR1CYSLTR2

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