SCHEMBL9713103

SCHEMBL9713103

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
PLK1 P53350 4/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYSLTR2 Q9NS75 6/20 0.48
CYSLTR1 Q9Y271 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SNCA P37840 1/20 0.45
PLK3 Q9H4B4 3/20 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
SCHEMBL9713108 1.00 NR1H4 (0.52) NR1H4PLK1NPC1RAB9AMEN1
SCHEMBL9713020 0.91 PLK1 (0.52) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL9713012 0.91 PLK1 (0.52) PLK1NPC1RAB9AMEN1KMT2A
SCHEMBL9714011 0.88 NR1H4 (0.57) NR1H4PLK1NPC1RAB9AMEN1
SCHEMBL9714007 0.88 NR1H4 (0.57) NR1H4PLK1NPC1RAB9AMEN1
SCHEMBL10749534 0.86 KMT2A (0.45) NR1H4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10749539 0.86 KMT2A (0.45) NR1H4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL29608536 0.79 SMN1; SMN2 (0.53) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL9856987 0.78 LMNA (0.55) NR1H4PLK1NPC1RAB9AMEN1
SCHEMBL9857410 0.78 NR1H4 (0.53) NR1H4PLK1NPC1RAB9AMEN1

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