SCHEMBL364331

SCHEMBL364331

Cc1cc(Cl)ccc1C(CC(=O)c1c[nH]c(=O)c(C)c1)c1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.43
GAA P10253 7/20 0.43
SI P14410 7/20 0.43
MGAM2 Q2M2H8 7/20 0.43
POLB P06746 2/20 0.40
BRD4 O60885 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SPR P35270 1/20 0.36
GRM1 Q13255 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL12505663 0.92 MGAM (0.41) MGAMGAASIMGAM2POLB
SCHEMBL365670 0.90 L3MBTL1 (0.40) MGAMGAASIMGAM2POLB
SCHEMBL365274 0.88 GPBAR1 (0.46) MGAMGAASIMGAM2POLB
SCHEMBL363934 0.86 GPBAR1 (0.47) MGAMGAASIMGAM2POLB
SCHEMBL363178 0.85 GPBAR1 (0.51) MGAMGAASIMGAM2POLB
SCHEMBL362297 0.85 MGAM (0.38) MGAMGAASIMGAM2POLB
SCHEMBL362955 0.85 MGAM (0.38) MGAMGAASIMGAM2
SCHEMBL14894610 0.83 GPBAR1 (0.52) MGAMGAASIMGAM2BRD4
SCHEMBL370270 0.82 POLB (0.38) MGAMGAASIMGAM2POLB
SCHEMBL369868 0.80 KMT2A (0.47) MGAMGAASIMGAM2POLB

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