SCHEMBL27960281

SCHEMBL27960281

Cc1cccc(N(OO)C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B1 P14061 7/20 0.39
HSD17B2 P37059 7/20 0.39
PARP1 P09874 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
CPB2 Q96IY4 1/20 0.36
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL22670302 0.83 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL10210873 0.81 BRD4 (0.52) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL27554186 0.80 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL21681359 0.80 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL3407971 0.80 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL1006925 0.80 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL6799668 0.74 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL30148765 0.73 KCNQ4 (0.41) CYP3A4CYP2C9CYP2C19NPC1JAK2
SCHEMBL29420499 0.72 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL12275394 0.72 USP30 (0.35) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103728853-B Tone agent for developing electrostatic charge image, developer, toner cartridge, handle box, image forming apparatus and image forming method 富士施乐株式会社 2019-10-11 CN disclosed
CN-103728853-A Electrostatic charge image developing toner, developer, toner cartridge, process cartridge, image forming apparatus, and image forming method FUJI XEROX CO LTD 2014-04-16 CN disclosed