SCHEMBL3421169

SCHEMBL3421169

COC(=O)CCC(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
PCSK9 Q8NBP7 1/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 2/20 0.38
CA7 P43166 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSK P43235 5/20 0.38
CTSS P25774 2/20 0.38
TSHR P16473 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
SYK P43405 1/20 0.36
CAPN1 P07384 1/20 0.36
SERPINE1 P05121 1/20 0.36

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
SCHEMBL1261205 0.85 MEN1 (0.49) MEN1GAAKMT2APCSK9CA2
SCHEMBL1260956 0.85 MEN1 (0.49) MEN1GAAKMT2APCSK9CA2
SCHEMBL19765482 0.85 MEN1 (0.45) MEN1GAAKMT2APCSK9CA2
SCHEMBL1260951 0.85 MEN1 (0.49) MEN1GAAKMT2APCSK9CA2
SCHEMBL3423364 0.83 CYP2D6 (0.43) MEN1GAAKMT2APCSK9CA2
SCHEMBL25324125 0.83 MEN1 (0.43) MEN1GAAKMT2APCSK9CA2
SCHEMBL17788024 0.83 MEN1 (0.43) MEN1GAAKMT2APCSK9CA2
SCHEMBL25921359 0.83 MEN1 (0.43) MEN1GAAKMT2APCSK9CA2
SCHEMBL26093592 0.83 MEN1 (0.43) MEN1GAAKMT2ACA2CA12
SCHEMBL3422488 0.83 MEN1 (0.43) MEN1GAAKMT2APCSK9CA2

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-2010065709-A2 HYDROXAMIC ACID DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF KHAN AMIN (US) 2010-06-10 WO disclosed