SCHEMBL6201770

SCHEMBL6201770

CCS(=O)(=O)c1ccc2oc(-c3c[nH]nc3-c3ccc(NC(=O)C(Oc4ccccc4)C(C)C)cc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.51
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
UTRN P46939 2/20 0.47
CYP1A2 P05177 1/20 0.47
AHR P35869 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 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
SCHEMBL6086812 0.84 CETP (0.50) CETPMAPTPOLBUTRNCYP1A2
SCHEMBL6084691 0.82 CETP (0.59) CETPMAPTSMN1; SMN2
SCHEMBL6084333 0.80 CETP (0.56) CETPMAPTPOLBUTRNCYP1A2
SCHEMBL6201765 0.79 UTRN (0.49) CETPMAPTPOLBUTRNCYP1A2
SCHEMBL6085349 0.79 CETP (0.53) CETPMAPTPOLBUTRNCYP1A2
SCHEMBL6085579 0.79 CETP (0.52) CETPMAPTUTRNCYP1A2AHR
SCHEMBL6085287 0.79 CETP (0.56) CETPMAPTPOLBUTRNCYP1A2
SCHEMBL6086537 0.78 CETP (0.55) CETPMAPTPOLBUTRNCYP1A2
SCHEMBL6085118 0.77 CETP (0.51) CETPMAPTHDAC6
SCHEMBL6085596 0.77 CETP (0.48) CETPMAPTPOLBUTRNCYP1A2

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed