SCHEMBL15948704

SCHEMBL15948704

CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](COC)NC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.35
▸ PLA2G2C Q5R387 2/20 0.34
▸ CES2 O00748 1/20 0.32
▸ CTSK P43235 3/20 0.31
▸ DAGLA Q9Y4D2 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ PLA2G2A P14555 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
SCHEMBL17976780 0.88 PLA2G2A (0.35) EPHX1PLA2G2A
SCHEMBL15948706 0.88 EPHX1 (0.37) EPHX1CES2CTSKDAGLACNR1
SCHEMBL17976777 0.88 S1PR1 (0.40) —
SCHEMBL15948786 0.81 CTSK (0.37) CTSKDAGLA
SCHEMBL17174995 0.74 CNR1 (0.36) PLA2G2CCTSKDAGLACNR1PLA2G2A
SCHEMBL17972403 0.74 PLA2G2A (0.45) PLA2G2CDAGLACNR1PLA2G2A
SCHEMBL17972404 0.74 PLA2G2A (0.44) PLA2G2A
SCHEMBL15685423 0.74 EPHX1 (0.32) EPHX1CTSKDAGLACNR1
SCHEMBL15685416 0.73 EPHX1 (0.37) EPHX1
SCHEMBL17174997 0.73 DAGLA (0.37) PLA2G2CDAGLACNR1PLA2G2A

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-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 — — WO disclosed
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