SCHEMBL7765138

SCHEMBL7765138

CC(C)COP(=O)(Cc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1)OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.44
EGFR P00533 2/20 0.42
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7765136 0.90 CYP3A4 (0.43) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL7768661 0.89 CYP3A4 (0.46) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL7768664 0.87 CYP3A4 (0.45) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL7770758 0.82 CYP3A4 (0.48) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL7770742 0.82 CYP3A4 (0.46) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL7768662 0.80 CYP3A4 (0.46) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL5376161 0.78 EGFR (0.43) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL1463877 0.78 EGFR (0.55) CYP3A4EGFRKMT2AKDM4EHTT
SCHEMBL7770202 0.77 MAPT (0.39) CYP3A4KMT2A
SCHEMBL7770194 0.77 CYP3A4 (0.46) CYP3A4KMT2AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749974-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-06-27 EP disclosed
US-5798344-A TREATING DIABETES, HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-08-25 US disclosed
EP-0749974-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-12-27 EP disclosed