SCHEMBL5733451

SCHEMBL5733451

CCN(C)C(=O)C(CCC(=O)Oc1c(F)cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1F)(C(=O)N(C)CC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTTP P55157 16/20 0.41
KLRK1 P26718 3/20 0.40
MICA Q29983 3/20 0.40
RAET1L Q5VY80 3/20 0.40
APOB P04114 1/20 0.39

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
SCHEMBL5065177 0.96 MTTP (0.40) MTTPKLRK1MICARAET1LAPOB
SCHEMBL5065161 0.90 MTTP (0.41) MTTPKLRK1MICARAET1LAPOB
SCHEMBL14031577 0.90 MTTP (0.41) MTTPKLRK1MICARAET1LAPOB
SCHEMBL5065180 0.85 MTTP (0.44) MTTPKLRK1MICARAET1LAPOB
SCHEMBL14031679 0.84 MTTP (0.35) MTTPKLRK1MICARAET1LAPOB
SCHEMBL5732554 0.84 MTTP (0.39) MTTPKLRK1MICARAET1LAPOB
SCHEMBL14031580 0.84 MTTP (0.38) MTTPKLRK1MICARAET1LAPOB
SCHEMBL5065222 0.82 MTTP (0.41) MTTPKLRK1MICARAET1LAPOB
SCHEMBL5732561 0.82 MTTP (0.39) MTTPKLRK1MICARAET1LAPOB
SCHEMBL5732196 0.82 MTTP (0.39) MTTPKLRK1MICARAET1LAPOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP claimed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP disclosed