SCHEMBL27745461

SCHEMBL27745461

CCONC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OCCCC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.58
USP30 Q70CQ3 1/20 0.48
PPARG P37231 3/20 0.46
EPHX2 P34913 3/20 0.46
PPARA Q07869 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ACACB O00763 2/20 0.41
GPR132 Q9UNW8 1/20 0.41
PLG P00747 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL4375950 0.89 KLKB1 (0.54) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL4368099 0.87 KLKB1 (0.51) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL4365940 0.86 ITGB3 (0.58) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL27745374 0.85 KLKB1 (0.64) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL4366047 0.85 KLKB1 (0.53) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL4361537 0.85 KLKB1 (0.59) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL4373683 0.84 KLKB1 (0.54) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL4367194 0.84 KLKB1 (0.54) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL27724715 0.84 KLKB1 (0.57) KLKB1USP30PPARGEPHX2PPARA
SCHEMBL27724714 0.83 USP30 (0.59) KLKB1USP30PPARGEPHX2PPARA

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
CN-101267813-A Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO CO LTD (JP) 2008-09-17 CN disclosed