SCHEMBL7185049

SCHEMBL7185049

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)NCc2cccc(Cl)c2)co1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 1/20 0.35
MASP2 O00187 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CACNA1H O95180 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TPSAB1 Q15661 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 3/20 0.33
KCNA5 P22460 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7046903 0.93 TBXA2R (0.35) MEN1KMT2AL3MBTL1ALDH1A1KCNA5
SCHEMBL7045973 0.90 PSMB5 (0.40) L3MBTL1ALDH1A1HPGDKCNA5LMNA
SCHEMBL7042863 0.90 KCNA5 (0.37) ALDH1A1MAPTKCNA5
SCHEMBL7042125 0.88 L3MBTL1 (0.39) KMT2AL3MBTL1ALDH1A1HPGDKCNA5
SCHEMBL7044814 0.88 SGMS2 (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL7049145 0.87 KCNA5 (0.38) KMT2AL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL7046404 0.85 MAPT (0.35) L3MBTL1ALDH1A1MAPTKCNA5MAPK1
SCHEMBL7186575 0.80 CACNA1H (0.37) MEN1KMT2AHCRTR1L3MBTL1CACNA1H
SCHEMBL7045323 0.79 MGLL (0.36) MEN1KMT2A
SCHEMBL6465152 0.79 MAPT (0.39) MEN1KMT2AL3MBTL1ALDH1A1HPGD

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