SCHEMBL28045267

SCHEMBL28045267

CCOc1ccc(OCC)c(C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
PARP10 Q53GL7 1/20 0.56
MAPK1 P28482 2/20 0.51
XDH P47989 1/20 0.51
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 2/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47
EPHX1 P07099 1/20 0.47
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL11627742 0.90 MAPK1 (0.56) KDM4EPARP10MAPK1RAB9ALMNA
Hydrochloric Acid SCHEMBL11710451 0.89 MAPK1 (0.55) KDM4EPARP10MAPK1RAB9ALMNA
SCHEMBL6838380 0.88 KDM4E (0.68) KDM4EPARP10MAPK1TSHRMKNK1
SCHEMBL27249089 0.86 PARP10 (0.56) KDM4EPARP10LMNATSHRALDH1A1
SCHEMBL28716765 0.85 TSHR (0.62) KDM4EPARP10MAPK1RAB9ALMNA
SCHEMBL1107710 0.84 KDM4E (0.63) KDM4EXDHLMNATSHRALDH1A1
SCHEMBL10497899 0.84 CYP3A4 (0.68) KDM4EXDHLMNATSHRCYP3A4
SCHEMBL17171668 0.83 KDM4E (0.54) KDM4EXDHRAB9ALMNATSHR
SCHEMBL6677588 0.83 LMNA (0.59) RAB9ALMNAALDH1A1CYP3A4NPC1
SCHEMBL7860492 0.83 MAPK1 (0.51) PARP10MAPK1RAB9ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103597040-B High electrical insulating properties azo system black pigment, manufacture method, coloured composition, colorize method and dyed articles class DAINICHISEIKA COLOR & CHEMICALS MFG. CO.,LTD. (JP) 2016-01-27 CN disclosed