SCHEMBL9756334

SCHEMBL9756334

CC(C)(C)N(NC(=O)C1CCCCCCC1)C(=O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.43
ABCB1 P08183 1/20 0.43
GRM5 P41594 1/20 0.41
LMNA P02545 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL9755902 1.00 CYP3A4 (0.49) CYP3A4CYP2C9EPHX2ALDH1A1RECQL
SCHEMBL9756164 1.00 CYP3A4 (0.49) CYP3A4CYP2C9EPHX2ALDH1A1RECQL
SCHEMBL9756227 0.99 CYP3A4 (0.50) CYP3A4CYP2C9EPHX2ALDH1A1RECQL
SCHEMBL9756412 0.96 CYP3A4 (0.50) CYP3A4CYP2C9EPHX2RECQLPOLB
SCHEMBL9756147 0.94 CYP3A4 (0.56) CYP3A4CYP2C9EPHX2RECQLPOLB
SCHEMBL9756191 0.87 ABCB1 (0.58) CYP3A4CYP2C9EPHX2ALDH1A1POLB
SCHEMBL9755881 0.87 ABCB1 (0.58) CYP3A4CYP2C9EPHX2ALDH1A1POLB
SCHEMBL9755908 0.87 ABCB1 (0.58) CYP3A4CYP2C9EPHX2ALDH1A1POLB
SCHEMBL9755937 0.85 ABCB1 (0.60) CYP3A4CYP2C9EPHX2ALDH1A1POLB
SCHEMBL9756366 0.85 POLB (0.60) CYP3A4CYP2C9RECQLPOLBLMNA

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