SCHEMBL363032

SCHEMBL363032

Cc1ccccc1C(C/C(=N\O)c1c[nH]c(=O)c(C)c1)c1ccc(C(=O)NCCS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.45
BRD4 O60885 1/20 0.38
EPHX2 P34913 7/20 0.37
SLC6A9 P48067 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL364032 0.90 GPBAR1 (0.47) GPBAR1BRD4EPHX2SLC6A9L3MBTL1
SCHEMBL363112 0.90 GPBAR1 (0.36) GPBAR1BRD4EPHX2POLB
SCHEMBL364071 0.89 GPBAR1 (0.47) GPBAR1BRD4EPHX2
SCHEMBL363585 0.87 GPBAR1 (0.45) GPBAR1BRD4EPHX2
SCHEMBL362350 0.87 GPBAR1 (0.48) GPBAR1BRD4EPHX2SLC6A9
SCHEMBL363587 0.86 GCGR (0.38) GPBAR1BRD4EPHX2POLB
SCHEMBL364239 0.85 GPBAR1 (0.47) GPBAR1BRD4EPHX2SLC6A9L3MBTL1
SCHEMBL363542 0.85 GPBAR1 (0.47) GPBAR1BRD4EPHX2SLC6A9L3MBTL1
SCHEMBL362902 0.84 GPBAR1 (0.45) GPBAR1BRD4EPHX2SLC6A9L3MBTL1
SCHEMBL363667 0.84 GPBAR1 (0.42) GPBAR1BRD4EPHX2

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