SCHEMBL8772435

SCHEMBL8772435

Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc3ccccc23)C(C)(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.73
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 1/20 0.53
POLB P06746 1/20 0.50

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
SCHEMBL10721366 0.92 ABCB1 (0.64) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9714534 0.87 POLB (0.67) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9714333 0.86 ABCB1 (0.55) ABCB1CYP3A4CYP2C9POLB
SCHEMBL10721508 0.82 ABCB1 (0.77) ABCB1CYP3A4CYP2C9POLB
SCHEMBL8461192 0.82 ABCB1 (0.81) ABCB1CYP3A4
SCHEMBL10721301 0.82 ABCB1 (0.77) ABCB1CYP3A4CYP2C9POLB
SCHEMBL17624858 0.82 ABCB1 (0.77) ABCB1
SCHEMBL32672049 0.82 ABCB1 (0.81) ABCB1CYP3A4
SCHEMBL678529 0.82 ABCB1 (0.70) ABCB1CYP3A4
SCHEMBL5064009 0.81 ABCB1 (0.73) ABCB1CYP3A4CYP2C9

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-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed
EP-0639559-A1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM AND HAAS COMPANY (US) 1995-02-22 EP claimed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP disclosed