SCHEMBL362064

SCHEMBL362064

Cc1cc(Cl)ccc1C(C/C(=N\O)c1c[nH]c(=O)c(C)c1)c1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
FFAR1 O14842 6/20 0.36
FFAR4 Q5NUL3 3/20 0.36
PLA2G4A P47712 2/20 0.34
SERPINE1 P05121 2/20 0.34
PPARG P37231 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL364251 0.88 MEN1 (0.35) GPBAR1FFAR1FFAR4
SCHEMBL365274 0.85 GPBAR1 (0.46) GPBAR1POLBTDP1
SCHEMBL363355 0.83 FFAR1 (0.38) CNR1GPBAR1FFAR1FFAR4PLA2G4A
SCHEMBL363356 0.83 FFAR1 (0.38) CNR1GPBAR1FFAR1FFAR4PLA2G4A
SCHEMBL363178 0.83 GPBAR1 (0.51) GPBAR1PPARGPOLBTDP1
SCHEMBL370059 0.82 GPBAR1 (0.35) GPBAR1FFAR1TDP1
SCHEMBL365756 0.82 ADRB3 (0.38) GPBAR1PPARGPOLB
SCHEMBL12505651 0.81 GPBAR1 (0.35) GPBAR1
SCHEMBL363628 0.81 ADRB1 (0.35) GPBAR1FFAR1POLBTDP1
SCHEMBL362796 0.80 GPBAR1 (0.39) GPBAR1L3MBTL1

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
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