SCHEMBL368688

SCHEMBL368688

CC(O)C(O)NC(=O)c1ccc(C(CC(=O)c2ccc(=O)n(C)c2)c2ccc(Cl)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 13/20 0.39
S1PR1 P21453 3/20 0.39
MDM2 Q00987 1/20 0.36
POLB P06746 1/20 0.35
PPARG P37231 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHR2 Q13324 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL369229 0.90 PPARG (0.37) S1PR3S1PR1POLBPPARGL3MBTL1
SCHEMBL369536 0.87 POLB (0.38) S1PR3S1PR1MDM2POLBL3MBTL1
SCHEMBL1390467 0.86 POLB (0.37) S1PR3S1PR1MDM2POLBL3MBTL1
SCHEMBL368098 0.86 GCG (0.39) S1PR3S1PR1MDM2POLBHPGD
SCHEMBL368689 0.85 MAPK14 (0.36) S1PR3S1PR1MDM2BRD4
SCHEMBL1390322 0.85 MAPK14 (0.36) S1PR3S1PR1MDM2BRD4
SCHEMBL371366 0.85 KMT2A (0.46) S1PR3S1PR1MDM2POLBBRD4
SCHEMBL369928 0.84 CYP2C9 (0.39) S1PR3S1PR1MDM2POLBKMT2A
SCHEMBL369981 0.83 EPHX2 (0.38) S1PR3S1PR1MDM2LMNA
SCHEMBL370027 0.83 EPHX2 (0.37) S1PR3S1PR1POLBBRD4

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