SCHEMBL7186575

SCHEMBL7186575

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCCC(C(=O)c1nc(C(=O)NCc2cccc(Cl)c2)co1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
KCNA5 P22460 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
NR3C2 P08235 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7047980 0.93 TBXA2R (0.37) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL7044845 0.89 KCNA5 (0.39) KCNA5L3MBTL1ALDH1A1HPGDSLC1A3
SCHEMBL7049037 0.89 KCNA5 (0.39) KCNA5L3MBTL1ALDH1A1SLC1A3SLC1A1
SCHEMBL7046299 0.88 L3MBTL1 (0.44) KMT2AKCNA5L3MBTL1ALDH1A1HPGD
SCHEMBL7049297 0.87 HPGD (0.40) MEN1KMT2AKCNA5ALDH1A1HPGD
SCHEMBL7045334 0.86 CYP1A2 (0.42) KMT2AKCNA5L3MBTL1NR3C2ALDH1A1
SCHEMBL7047185 0.82 CTSL (0.37) ALDH1A1SLC1A3SLC1A1
SCHEMBL7049752 0.80 KMT2A (0.43) MEN1KMT2AL3MBTL1SLC1A3SLC1A1
SCHEMBL7185049 0.80 MEN1 (0.35) CACNA1HMEN1KMT2AHCRTR1PRSS1
SCHEMBL7183275 0.78 MEN1 (0.38) MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed