SCHEMBL6921088

SCHEMBL6921088

CC(=O)ONCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.48
MAOB P27338 2/20 0.47
MAPK14 Q16539 1/20 0.46
FFAR1 O14842 1/20 0.46
MTOR P42345 1/20 0.46
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
NAMPT P43490 1/20 0.42
P2RX7 Q99572 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL13057555 0.79 CA2 (0.46) ALDH1A1KDM4E
SCHEMBL2629356 0.77 LSS (0.59) LSSMAPK14FFAR1MTORHDAC1
SCHEMBL6881538 0.77 ALDH1A1 (0.50) LSSMAPK14ALDH1A1
SCHEMBL3614552 0.77 ALDH1A1 (0.52) ALDH1A1EPHX2KDM4E
SCHEMBL7508153 0.76 ALDH1A1 (0.51) FFAR1ALDH1A1EPHX2KDM4E
SCHEMBL3417449 0.75 LSS (0.56) LSSMAPK14FFAR1MTORHDAC1
SCHEMBL4936119 0.75 LMNA (0.52) FFAR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL27812291 0.74 CYP19A1 (0.43) MAOBMAPK14MTORHDAC1PPARA
SCHEMBL28564046 0.74 P2RX7 (0.45) LSSALDH1A1EPHX2PPARGPPARA
SCHEMBL28384132 0.74 HTT (0.52) MAPK14FFAR1HDAC1HDAC8ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed