SCHEMBL401799

SCHEMBL401799

C=Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.48
APOB P04114 5/20 0.48
KLRK1 P26718 5/20 0.48
MICA Q29983 5/20 0.48
RAET1L Q5VY80 4/20 0.48
NTRK1 P04629 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 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
SCHEMBL402631 0.91 MTTP (0.49) MTTPAPOBKLRK1MICARAET1L
SCHEMBL14031471 0.87 KLRK1 (0.52) MTTPAPOBKLRK1MICARAET1L
SCHEMBL403174 0.86 MTTP (0.53) MTTPAPOBKLRK1MICARAET1L
SCHEMBL2597850 0.82 PPARG (0.53) MTTPAPOBKLRK1MICARAET1L
SCHEMBL2597893 0.81 KLRK1 (0.52) MTTPAPOBKLRK1MICARAET1L
SCHEMBL400773 0.80 PPARA (0.55) MTTPAPOBKLRK1MICARAET1L
SCHEMBL13580512 0.80 MTTP (0.50) MTTPAPOBKLRK1MICARAET1L
SCHEMBL14031528 0.80 NTRK1 (0.50) MTTPAPOBKLRK1MICARAET1L
SCHEMBL14031572 0.79 MTTP (0.53) MTTPAPOBKLRK1MICARAET1L
SCHEMBL5064986 0.79 MTTP (0.48) MTTPAPOBKLRK1MICARAET1L

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-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed