SCHEMBL16649740

SCHEMBL16649740

C[C@H]([CH]c1ccc(C(F)(F)F)c(F)c1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.44
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34

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
SCHEMBL3182714 0.78 KIF11 (0.51) KIF11KDM1A
SCHEMBL15156942 0.74 MEN1 (0.42) —
SCHEMBL2821410 0.74 MEN1 (0.42) —
SCHEMBL15157445 0.73 KIF11 (0.50) KIF11FFAR1KDM1A
SCHEMBL585210 0.72 KDM4E (0.50) KIF11AKR1C3AKR1C2PPARGPPARD
SCHEMBL585211 0.72 KDM4E (0.50) KIF11AKR1C3AKR1C2PPARGPPARD
SCHEMBL15156611 0.71 TRPV4 (0.39) EPHX2
SCHEMBL16649842 0.70 ALDH1A1 (0.46) —
SCHEMBL16649181 0.70 ALDH1A1 (0.46) —
SCHEMBL16649856 0.70 ALDH1A1 (0.46) —

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
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
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