SCHEMBL9713633

SCHEMBL9713633

O=CC(=O)Nc1ccc(OCC(=O)O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.56
CYSLTR1 Q9Y271 6/20 0.47
MAPT P10636 2/20 0.46
RUVBL1 Q9Y265 1/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYSLTR2 Q9NS75 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PLA2G4B P0C869 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
PGR P06401 1/20 0.44
HTR1A P08908 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL9857446 0.90 NR1H4 (0.55) NR1H4CYSLTR1RUVBL1CYSLTR2MEN1
SCHEMBL9713751 0.89 NR1H4 (0.58) NR1H4CYSLTR1MAPTRUVBL1TP53
SCHEMBL9713622 0.89 NR1H4 (0.58) NR1H4CYSLTR1MAPTRUVBL1TP53
SCHEMBL9713634 0.88 NR1H4 (0.57) NR1H4CYSLTR1MAPTRUVBL1CYSLTR2
SCHEMBL9713330 0.88 NR1H4 (0.55) NR1H4CYSLTR1MAPTRUVBL1TP53
SCHEMBL9857436 0.86 NR1H4 (0.65) NR1H4CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9713433 0.86 NR1H4 (0.59) NR1H4CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9713490 0.86 NR1H4 (0.54) NR1H4CYSLTR1CYSLTR2PLA2G4BABCC4
SCHEMBL9713529 0.86 NR1H4 (0.59) NR1H4CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9857614 0.85 NR1H4 (0.55) NR1H4CYSLTR1MAPTCYSLTR2MEN1

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 4 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 claimed
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