SCHEMBL4960459

SCHEMBL4960459

CC(NC(=O)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 2/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
POLB P06746 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
XBP1 P17861 2/20 0.36
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 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
SCHEMBL10029746 0.81 TGFBR1 (0.38) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL15223622 0.81 CA1 (0.39) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL9401922 0.79 MAPT (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL10445512 0.79 MAPT (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL10445510 0.79 MAPT (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL9401736 0.79 MAPT (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL9401725 0.79 MAPT (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL9401932 0.79 MAPT (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL15222251 0.79 TDP1 (0.40) MAPTALDH1A1NPSR1RECQLCA12
SCHEMBL23607312 0.79 CA1 (0.52) MAPTNPSR1KMT2ACA12CA14

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-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed