SCHEMBL14886286

SCHEMBL14886286

CCC(=O)C(Cc1cnn[nH]1)NC(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.31
▸ ACACB O00763 4/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31

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
SCHEMBL14850463 0.86 MME (0.32) MMEACACBITGA4ITGB7
SCHEMBL14864778 0.86 MME (0.32) MMEACACBITGA4ITGB7
SCHEMBL8911903 0.84 ACACB (0.33) MMEACACBITGA4ITGB7
SCHEMBL888696 0.84 ACACB (0.33) MMEACACBITGA4ITGB7
SCHEMBL10122822 0.84 ACACB (0.33) MMEACACBITGA4ITGB7
SCHEMBL10120407 0.83 MME (0.31) MMEACACBITGA4ITGB7
SCHEMBL12979930 0.78 ITGB2 (0.47) —
SCHEMBL10140606 0.70 ACACB (0.44) ACACBITGA4ITGB7
SCHEMBL13255750 0.70 ACACB (0.44) ACACBITGA4ITGB7
SCHEMBL8921709 0.70 POLB (0.51) —

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-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
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