SCHEMBL9713751

SCHEMBL9713751

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.58
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
CYSLTR1 Q9Y271 5/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYSLTR2 Q9NS75 3/20 0.47
RUVBL1 Q9Y265 1/20 0.47
PLA2G4B P0C869 1/20 0.46
MGAT2 Q10469 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46

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
SCHEMBL9713529 0.91 NR1H4 (0.59) NR1H4CYSLTR1NPC1RAB9AMEN1
SCHEMBL9713622 0.91 NR1H4 (0.58) NR1H4MAPTALDH1A1CYSLTR1MEN1
SCHEMBL9713717 0.90 NR1H4 (0.54) NR1H4MAPTALDH1A1HTTCYSLTR1
SCHEMBL9713634 0.90 NR1H4 (0.57) NR1H4MAPTALDH1A1CYSLTR1MEN1
SCHEMBL9713330 0.89 NR1H4 (0.55) NR1H4MAPTCYSLTR1NPC1RAB9A
SCHEMBL9713633 0.89 NR1H4 (0.56) NR1H4MAPTALDH1A1CYSLTR1NPC1
SCHEMBL9857436 0.88 NR1H4 (0.65) NR1H4CYSLTR1NPC1RAB9AMEN1
SCHEMBL9713433 0.88 NR1H4 (0.59) NR1H4ALDH1A1CYSLTR1NPC1RAB9A
SCHEMBL9857446 0.88 NR1H4 (0.55) NR1H4ALDH1A1CYSLTR1MEN1KMT2A
SCHEMBL9712991 0.87 NR1H4 (0.56) NR1H4MAPTALDH1A1HTTCYSLTR1

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