SCHEMBL362569

SCHEMBL362569

Cc1cc(C(CC=O)(c2ccc(Br)cc2)c2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
CRHR1 P34998 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
SORT1 Q99523 1/20 0.30
PTPN1 P18031 1/20 0.30
GRM2 Q14416 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL15949082 0.89
SCHEMBL364417 0.89
SCHEMBL364800 0.86 PDK2 (0.30) RORANR2E1
SCHEMBL364334 0.83 NR1H2 (0.41)
SCHEMBL363954 0.81 HDAC6 (0.32)
SCHEMBL362479 0.81 HDAC3 (0.30)
SCHEMBL364445 0.80 CYP3A4 (0.35)
SCHEMBL363251 0.79 KCNH2 (0.33)
SCHEMBL370939 0.79 KCNH2 (0.33)
SCHEMBL363663 0.76 CYP1A1 (0.33) SORT1GRM2

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