SCHEMBL7759432

SCHEMBL7759432

C[C@H](CNC(=O)OC(C)(C)C)CC(=O)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
PCSK9 Q8NBP7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 1/20 0.40
CTSK P43235 5/20 0.39
CTSS P25774 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
APLNR P35414 1/20 0.38
SYK P43405 1/20 0.37
SERPINE1 P05121 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7758385 1.00 MEN1 (0.42) MEN1GAAKMT2APCSK9TDP1
SCHEMBL21452652 0.88 MEN1 (0.44) MEN1GAAKMT2APCSK9TDP1
SCHEMBL21452654 0.88 MEN1 (0.44) MEN1GAAKMT2APCSK9TDP1
SCHEMBL1105702 0.85 PCSK9 (0.50) MEN1GAAKMT2APCSK9TDP1
SCHEMBL1262597 0.84 MEN1 (0.47) MEN1GAAKMT2APCSK9TDP1
SCHEMBL6945578 0.84 MEN1 (0.47) MEN1GAAKMT2APCSK9TDP1
SCHEMBL4740871 0.84 MEN1 (0.47) MEN1GAAKMT2APCSK9TDP1
SCHEMBL24363894 0.83 MEN1 (0.42) MEN1GAAKMT2APCSK9TDP1
SCHEMBL3423364 0.83 CYP2D6 (0.43) MEN1GAAKMT2APCSK9TDP1
SCHEMBL3425410 0.81 MEN1 (0.41) MEN1GAAKMT2APCSK9TDP1

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-2001057526-A1 METHOD FOR ANALYSIS OF REACTION PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-08-09 WO disclosed