SCHEMBL9713482

SCHEMBL9713482

CCOC(=O)c1ccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
PLK1 P53350 4/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYSLTR2 Q9NS75 3/20 0.47
CYSLTR1 Q9Y271 3/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 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
SCHEMBL9857625 0.87 NR1H4 (0.52) NR1H4RAB9AMAPTKMT2ANPC1
SCHEMBL9856859 0.86 NR1H4 (0.52) NR1H4RAB9AMAPTKMT2ANPC1
SCHEMBL9857365 0.84 NR1H4 (0.52) NR1H4RAB9AMAPTKMT2ANPC1
SCHEMBL9713671 0.83 NR1H4 (0.64) NR1H4RAB9AKMT2ANPC1MEN1
SCHEMBL9857044 0.82 NR1H4 (0.59) NR1H4RAB9AMAPTKMT2ANPC1
SCHEMBL4373451 0.82 KMT2A (0.61) NR1H4RAB9AMAPTKMT2ANPC1
SCHEMBL9857598 0.82 NR1H4 (0.53) NR1H4RAB9AMAPTKMT2ANPC1
SCHEMBL9713930 0.81 KCNMA1 (0.62) NR1H4RAB9AMAPTKMT2ANPC1
SCHEMBL9713940 0.81 NR1H4 (0.52) NR1H4RAB9AKMT2ANPC1MEN1
SCHEMBL9856852 0.80 NR1H4 (0.58) NR1H4RAB9AMAPTKMT2ANPC1

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