SCHEMBL7186571

SCHEMBL7186571

CC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)NCc2cccc(Cl)c2)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.38
CACNA1H O95180 1/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
TBXA2R P21731 1/20 0.35
DAGLA Q9Y4D2 2/20 0.35
HPGD P15428 1/20 0.35
CNR2 P34972 2/20 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
SCHEMBL7047979 0.93 TBXA2R (0.41) ALDH1A1MAPTKDM4ELMNATBXA2R
SCHEMBL7044843 0.90 L3MBTL1 (0.39) ALDH1A1MAPTLMNARAB9ATBXA2R
SCHEMBL7558531 0.88 DAGLA (0.39) MEN1KMT2ALMNAMAPK1RAB9A
SCHEMBL7047180 0.82 P2RX7 (0.37) DAGLA
SCHEMBL7049295 0.79 DAGLA (0.41) KMT2AMAPTDAGLA
SCHEMBL7049748 0.77 XDH (0.40) CACNA1HKMT2AALDH1A1MAPTLMNA
SCHEMBL6467199 0.77 DAGLA (0.41) LMNAMAPK1RAB9ATBXA2RDAGLA
SCHEMBL7567535 0.76 DAGLA (0.43) KMT2ALMNADAGLA
SCHEMBL7047182 0.76 DAGLA (0.39) ALDH1A1MAPK1DAGLA
SCHEMBL7183270 0.76 MGLL (0.40) MEN1KMT2A

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