SCHEMBL20196330

SCHEMBL20196330

CCOC(=O)c1cc(OC(F)(F)F)cc(N2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
DDR1 Q08345 8/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX5 P09917 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL28000100 0.88 ALDH1A1 (0.44) FFAR4DDR1ALDH1A1PKM
SCHEMBL16528296 0.84 ALDH1A1 (0.46) DDR1NPSR1ALDH1A1TSHR
SCHEMBL2562917 0.82 KDM4E (0.53) FFAR4DDR1ALDH1A1
SCHEMBL2563315 0.81 DDR1 (0.43) FFAR4DDR1ALDH1A1
SCHEMBL2829423 0.76 CA1 (0.49) DDR1PKMTSHR
SCHEMBL16528266 0.76 DDR1 (0.51) DDR1
SCHEMBL16528265 0.76 DDR1 (0.51) DDR1
SCHEMBL3898465 0.76 HPGD (0.61) SIRT2SIRT1NPSR1ALDH1A1PKM
SCHEMBL10144997 0.76 ALOX5 (0.60) SIRT2SIRT1ALDH1A1ALOX5
SCHEMBL3097713 0.76 ALOX5 (0.60) SIRT2SIRT1ALDH1A1ALOX5

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-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed