SCHEMBL364415

SCHEMBL364415

Cc1cc(C(=O)CC(c2ccc(C(=O)NC3CCC(C(=O)O)CC3)c(F)c2)c2ccccc2Cl)c[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
MET P08581 1/20 0.36
BRD4 O60885 3/20 0.36
MAPK14 Q16539 5/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
F10 P00742 1/20 0.34
POLB P06746 1/20 0.33
CNR2 P34972 1/20 0.33
PARP1 P09874 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTK2 Q05397 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
SCHEMBL363829 0.95 BRD4 (0.41) HPGDMETBRD4MAPK14ALDH1A1
SCHEMBL363154 0.93 HPGD (0.35) HPGDMETBRD4MAPK14ALDH1A1
SCHEMBL363606 0.91 GPBAR1 (0.35) HPGDMETBRD4MAPK14F10
SCHEMBL361665 0.88 HPGD (0.37) HPGDMETBRD4MAPK14F10
SCHEMBL362599 0.86 BRD4 (0.40) HPGDMETBRD4MAPK14F10
SCHEMBL364618 0.83 MET (0.42) HPGDMETBRD4F10CNR2
SCHEMBL363538 0.83 TDP1 (0.38) BRD4ALDH1A1
SCHEMBL1390181 0.82 HPGD (0.37) HPGDBRD4MAPK14F10
SCHEMBL1390183 0.82 HPGD (0.37) HPGDBRD4MAPK14F10
SCHEMBL362147 0.81 MET (0.34) METBRD4F10

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