SCHEMBL9756191

SCHEMBL9756191

Cc1cccc(C(=O)N(NC(=O)C2CCCCCCC2)C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.58
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EPHX2 P34913 1/20 0.48
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL9755881 1.00 ABCB1 (0.58) ABCB1CYP3A4CYP2C9NPSR1NPC1
SCHEMBL9755908 1.00 ABCB1 (0.58) ABCB1CYP3A4CYP2C9NPSR1NPC1
SCHEMBL9755937 0.99 ABCB1 (0.60) ABCB1CYP3A4CYP2C9NPSR1NPC1
SCHEMBL9756247 0.96 ABCB1 (0.60) ABCB1CYP3A4CYP2C9NPSR1NPC1
SCHEMBL9755976 0.94 ABCB1 (0.66) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9755902 0.87 CYP3A4 (0.49) ABCB1CYP3A4CYP2C9EPHX2ALDH1A1
SCHEMBL9756334 0.87 CYP3A4 (0.49) ABCB1CYP3A4CYP2C9EPHX2ALDH1A1
SCHEMBL9756164 0.87 CYP3A4 (0.49) ABCB1CYP3A4CYP2C9EPHX2ALDH1A1
SCHEMBL9756366 0.86 POLB (0.60) CYP3A4CYP2C9NPSR1POLBKMT2A
SCHEMBL8173463 0.86 POLB (0.60) CYP3A4CYP2C9NPSR1POLBKMT2A

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-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed