SCHEMBL1476095

SCHEMBL1476095

CC/C(=C(/C(=O)O)C(=O)c1ccc(F)c(OC)c1F)N(F)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL141512 0.77 CNR1 (0.35) MEP1BCES2CES1
SCHEMBL5670626 0.74 MEP1B (0.36) MEP1BCES2CES1
SCHEMBL14845241 0.72 CES2 (0.50) CES2CES1
SCHEMBL27581775 0.68 MEP1B (0.43) MEP1BCES2CES1
SCHEMBL606872 0.67 TDP1 (0.49) MEP1BCES2CES1
SCHEMBL2605611 0.64 MAPT (0.42) MEP1BCES2CES1
SCHEMBL608659 0.64 MEP1B (0.30) MEP1B
SCHEMBL116280 0.64 CES2 (0.45) MEP1BCES2CES1
SCHEMBL3573736 0.64 TSHR (0.49) MEP1BCES2CES1
SCHEMBL143557 0.63 MEP1B (0.42) MEP1BCES2CES1

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-7915418-B2 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 US disclosed