SCHEMBL363129

SCHEMBL363129

Cc1cc(Cl)ccc1C(C/C(=N\O)c1c[nH]c(=O)c(C)c1)c1ccc(Oc2ccc(Cl)c(C(=O)O)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
SCN8A Q9UQD0 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
PTGER4 P35408 3/20 0.33
PTGER2 P43116 2/20 0.33
CHEK2 O96017 1/20 0.32
KDR P35968 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
HIF1A Q16665 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL370059 0.90 GPBAR1 (0.35) FFAR1CHEK2GPBAR1ADRB1ADRB3
SCHEMBL363394 0.89 MRGPRX4 (0.40) PTGER4PTGER2KDRGPBAR1ADRB1
SCHEMBL363628 0.88 ADRB1 (0.35) FFAR1PTGER4PTGER2KDRGPBAR1
SCHEMBL1389959 0.85 FFAR1 (0.35) FFAR1PTGER4PTGER2CHEK2GPBAR1
SCHEMBL1389962 0.85 FFAR1 (0.35) FFAR1PTGER4PTGER2CHEK2GPBAR1
SCHEMBL362499 0.83 PPARG (0.32) GPBAR1
SCHEMBL364251 0.82 MEN1 (0.35) FFAR1GPBAR1
SCHEMBL370370 0.80 FFAR1 (0.33) FFAR1PTGER4PTGER2HIF1A
SCHEMBL365756 0.80 ADRB3 (0.38) GPBAR1ADRB1ADRB3MRGPRX4
SCHEMBL365274 0.79 GPBAR1 (0.46) GPBAR1MRGPRX4

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