SCHEMBL8892340

SCHEMBL8892340

CC(C)(C)OC(=O)NCc1ccc(N2CC(C(=O)N3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SIGMAR1 Q99720 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 1/20 0.39
NTSR1 P30989 1/20 0.37
PARP1 P09874 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 1/20 0.36
SYK P43405 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL7455413 0.92 SIGMAR1 (0.42) MEN1KMT2ASIGMAR1CA1CA2
SCHEMBL8892614 0.87 HPGD (0.43) MEN1KMT2ANAMPTITGB3ITGA2B
SCHEMBL7462288 0.85 LMNA (0.40) MEN1KMT2ANAMPTNTSR1MAPT
SCHEMBL7464219 0.84 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1CA1CA2
SCHEMBL8891141 0.84 ITGB3 (0.40) MEN1KMT2ASIGMAR1CA1CA2
Water SCHEMBL7461996 0.83 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1CA1CA2
Ether SCHEMBL7461990 0.81 SIGMAR1 (0.39) MEN1KMT2ASIGMAR1NAMPTITGB3
SCHEMBL8891751 0.81 FNTA (0.45) ITGB3ITGA2B
SCHEMBL8891722 0.80 ITGB3 (0.36) MEN1KMT2ASIGMAR1CA1CA2
SCHEMBL8892077 0.80 ITGB3 (0.43) ITGB3ITGA2B

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-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed