SCHEMBL2586648

SCHEMBL2586648

CC[C@@](CCC(=O)c1ccc(F)nc1F)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2584542 0.83 CES2 (0.33) GAACTSSCTSK
SCHEMBL4325043 0.82 MEN1 (0.31) MEN1NPC1GAARAB9AKMT2A
SCHEMBL2578534 0.82 ACKR3 (0.40) CTSSCTSK
SCHEMBL2588069 0.80 AAK1 (0.34) CTSSCTSK
SCHEMBL2587766 0.80 CTSS (0.35) MEN1GAAKMT2ACTSSCTSK
SCHEMBL2585429 0.77 CTSS (0.33) CTSSCTSK
SCHEMBL2581151 0.76 CHRNA1 (0.36) MEN1NPC1GAARAB9AKMT2A
SCHEMBL4517781 0.76 PPARA (0.46) CTSSCTSK
SCHEMBL4517788 0.76 PPARA (0.46) CTSSCTSK
SCHEMBL2584672 0.76 AAK1 (0.34) RAB9ACTSSCTSK

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-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed