SCHEMBL6719615

SCHEMBL6719615

CCOC(=O)c1cc(CC(=O)OCC(C(=O)N(CC)CC)c2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTTP P55157 19/20 0.52
KLRK1 P26718 1/20 0.42
MICA Q29983 1/20 0.42
RAET1L Q5VY80 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
SCHEMBL6719015 0.95 MTTP (0.52) MTTP
SCHEMBL6715449 0.95 MTTP (0.55) MTTP
SCHEMBL6719432 0.94 MTTP (0.54) MTTPKLRK1MICARAET1L
SCHEMBL4345707 0.91 MTTP (0.54) MTTPKLRK1MICARAET1L
SCHEMBL3726124 0.90 MTTP (0.53) MTTPKLRK1MICARAET1L
SCHEMBL3739072 0.85 MTTP (0.51) MTTPKLRK1MICARAET1L
SCHEMBL6718895 0.85 MTTP (0.52) MTTPKLRK1MICARAET1L
SCHEMBL6722203 0.85 MTTP (0.56) MTTPKLRK1MICARAET1L
SCHEMBL13580496 0.84 MTTP (0.49) MTTP
SCHEMBL13580455 0.84 MTTP (0.51) MTTP

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-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP claimed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP disclosed