SCHEMBL9713330

SCHEMBL9713330

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.55
KMT2A Q03164 3/20 0.49
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RUVBL1 Q9Y265 1/20 0.45
PLK1 P53350 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43

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
SCHEMBL9713566 0.92 NR1H4 (0.52) NR1H4KMT2AMAPTMEN1NPC1
SCHEMBL9713751 0.89 NR1H4 (0.58) NR1H4KMT2AMAPTMEN1NPC1
SCHEMBL9713633 0.88 NR1H4 (0.56) NR1H4KMT2AMAPTMEN1NPC1
SCHEMBL9713622 0.87 NR1H4 (0.58) NR1H4KMT2AMAPTMEN1TP53
SCHEMBL9856976 0.86 NR1H4 (0.54) NR1H4KMT2AMAPTMEN1NPC1
SCHEMBL9713634 0.86 NR1H4 (0.57) NR1H4KMT2AMAPTMEN1CYSLTR1
SCHEMBL9713529 0.86 NR1H4 (0.59) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL9857614 0.85 NR1H4 (0.55) NR1H4KMT2AMAPTMEN1NPC1
SCHEMBL9857436 0.85 NR1H4 (0.65) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL9713433 0.85 NR1H4 (0.59) NR1H4KMT2AMEN1NPC1RAB9A

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