SCHEMBL362147

SCHEMBL362147

Cc1cc(/C(CC(c2ccc(C(=O)NC3COC3)c(F)c2)c2ccccc2Cl)=N/O)c[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
GPBAR1 Q8TDU6 4/20 0.33
BRD4 O60885 3/20 0.33
HAT1 O14929 2/20 0.31
EP300 Q09472 2/20 0.31
RORC P51449 2/20 0.31
F10 P00742 1/20 0.31
F9 P00740 1/20 0.31
NTRK1 P04629 1/20 0.30
TGFBR1 P36897 1/20 0.30
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL361665 0.93 HPGD (0.37) METGPBAR1BRD4F10
SCHEMBL364618 0.93 MET (0.42) METGPBAR1BRD4RORCF10
SCHEMBL362599 0.91 BRD4 (0.40) METGPBAR1BRD4EP300RORC
SCHEMBL363606 0.91 GPBAR1 (0.35) METGPBAR1BRD4F10
SCHEMBL364487 0.86 BRD4 (0.42) GPBAR1BRD4F9NTRK1
SCHEMBL364524 0.85 PTGS2 (0.36) GPBAR1BRD4HAT1EP300F9
SCHEMBL363071 0.84 BRD4 (0.37) GPBAR1BRD4F9
SCHEMBL1389655 0.83 F9 (0.34) GPBAR1BRD4RORCF10F9
SCHEMBL369186 0.83 F9 (0.34) GPBAR1BRD4RORCF10F9
SCHEMBL1389659 0.83 F9 (0.34) GPBAR1BRD4RORCF10F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed