SCHEMBL363956

SCHEMBL363956

Cc1ccccc1C(CC(=O)c1c[nH]c(=O)c(C)c1)c1ccc(C(=O)N[C@H](CO)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MGAM O43451 10/20 0.38
GAA P10253 10/20 0.38
SI P14410 10/20 0.38
MGAM2 Q2M2H8 10/20 0.38
PAK4 O96013 1/20 0.37
CTSA P10619 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
SLC6A9 P48067 1/20 0.34
GABRA5 P31644 1/20 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
SCHEMBL370940 1.00 BRD4 (0.41) BRD4MGAMGAASIMGAM2
SCHEMBL364728 0.91 BRD4 (0.42) BRD4MGAMGAASIMGAM2
SCHEMBL363430 0.90 GPBAR1 (0.45) BRD4PAK4CTSATAS1R3TAS1R1
SCHEMBL363734 0.90 GPBAR1 (0.45) BRD4PAK4CTSATAS1R3TAS1R1
SCHEMBL364256 0.84 BRD4 (0.41) BRD4MGAMGAASIMGAM2
SCHEMBL363934 0.83 GPBAR1 (0.47) BRD4MGAMGAASIMGAM2
SCHEMBL14896301 0.83 BRD4 (0.48) BRD4MGAMGAASIMGAM2
SCHEMBL364654 0.83 NPC1 (0.43) BRD4MGAMGAASIMGAM2
SCHEMBL362661 0.81 BRD4 (0.38) BRD4MGAMGAASIMGAM2
SCHEMBL370385 0.81 BRD4 (0.38) BRD4CTSAGPBAR1SLC6A9GABRA5

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