SCHEMBL362955

SCHEMBL362955

Cc1cc(Cl)ccc1C(CC(=O)c1c[nH]c(=O)c(C)c1)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.38
GAA P10253 4/20 0.38
SI P14410 4/20 0.38
MGAM2 Q2M2H8 4/20 0.38
CHRNA7 P36544 8/20 0.37
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA9 Q16790 6/20 0.36
CA12 O43570 5/20 0.36
CA14 Q9ULX7 4/20 0.36
CYP2D6 P10635 1/20 0.35
HAT1 O14929 2/20 0.34
EP300 Q09472 2/20 0.34

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
SCHEMBL363288 0.89 GPBAR1 (0.39) GAACHRNA7CA1CA2CA9
SCHEMBL365294 0.85 GPBAR1 (0.35) GAACHRNA7CA1CA2CA9
SCHEMBL12505663 0.85 MGAM (0.41) MGAMGAASIMGAM2
SCHEMBL364331 0.85 MGAM (0.43) MGAMGAASIMGAM2
SCHEMBL362297 0.83 MGAM (0.38) MGAMGAASIMGAM2
SCHEMBL365670 0.81 L3MBTL1 (0.40) MGAMGAASIMGAM2
SCHEMBL1390421 0.81 CHRNA7 (0.39) CHRNA7CA1CA2CA9CA12
SCHEMBL364467 0.78 GPBAR1 (0.39) GAACHRNA7CA1CA2CA9
SCHEMBL363176 0.78 GPBAR1 (0.39) GAACHRNA7CA1CA2CA9
SCHEMBL363016 0.78 GPBAR1 (0.39) GAACHRNA7CA1CA2CA9

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