SCHEMBL7414819

SCHEMBL7414819

CCOC(=O)CCc1ccc(NC(=O)c2cccc(NC(=O)NC(C)c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
MTOR P42345 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
C5 P01031 1/20 0.44
TP53 P04637 1/20 0.44
F2 P00734 1/20 0.44
F7 P08709 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 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
SCHEMBL7414814 0.84 ALDH1A1 (0.55) KMT2AMAPTMEN1NPC1L3MBTL1
SCHEMBL7372874 0.84 NAMPT (0.57) KMT2AMAPTMEN1NPC1L3MBTL1
SCHEMBL7377053 0.81 KMT2A (0.53) KMT2AMAPTMEN1NPC1L3MBTL1
SCHEMBL8499797 0.81 NAMPT (0.49) MAPTNPC1NPSR1NAMPTALDH1A1
SCHEMBL7377969 0.79 KMT2A (0.51) KMT2AMAPTMEN1NPC1L3MBTL1
SCHEMBL8497486 0.77 MAPT (0.46) KMT2AMAPTMEN1NPC1NPSR1
SCHEMBL7379154 0.75 PLAU (0.55) KMT2AMAPTMEN1L3MBTL1HTT
SCHEMBL7377976 0.75 KMT2A (0.48) KMT2AMAPTMEN1NPC1L3MBTL1
Hydrochloric Acid SCHEMBL9235167 0.74 MEN1 (0.52) KMT2AMAPTMEN1NPC1L3MBTL1
SCHEMBL9238430 0.73 KMT2A (0.51) KMT2AMAPTMEN1NPC1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed