SCHEMBL247623

SCHEMBL247623

CC(C)C1CC(=O)N1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.36
ITGB1 P05556 3/20 0.33
ITGA5 P08648 2/20 0.33
ITGA4 P13612 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ACE P12821 2/20 0.33
PIK3CD O00329 2/20 0.33
IL6ST P40189 1/20 0.33
MME P08473 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 2/20 0.32

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
SCHEMBL14141084 0.76 CHRM2 (0.40) MAPT
SCHEMBL6964149 0.71 KMT2A (0.36) MAPTKMT2A
SCHEMBL248703 0.71 MME (0.43) MAPTPOLBITGB1ITGA5ITGA4
SCHEMBL6978352 0.70 KMT2A (0.39) POLBITGB1ITGA5ITGA4ITGB3
SCHEMBL34474446 0.69 MAPT (0.35) MAPTPOLBACE
SCHEMBL10160264 0.69
SCHEMBL15817780 0.68 DPP4 (0.42) MAPTPOLBPIK3CD
SCHEMBL22978565 0.67 AR (0.34) MAPTPOLBITGB1ITGA5ITGA4
SCHEMBL3607555 0.67 AR (0.34) MAPTPOLBITGB1ITGA5ITGA4
SCHEMBL3336957 0.67 AR (0.34) MAPTPOLBITGB1ITGA5ITGA4

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
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 WO disclosed