SCHEMBL369644

SCHEMBL369644

COc1ccc(C(=O)CC(c2ccc(C)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
MAPK1 P28482 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
GSK3B P49841 1/20 0.49
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL369941 0.85 KMT2A (0.49) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL1390205 0.84 L3MBTL1 (0.59) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL2397228 0.81 L3MBTL1 (0.69) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL28727176 0.77 KMT2A (0.58) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL28036009 0.77 L3MBTL1 (0.63) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL371358 0.76 GAA (0.46) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL28169381 0.76 MAPT (0.70) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL370421 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1
SCHEMBL27704467 0.76 FFAR1 (0.55) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL370259 0.75 KMT2A (0.40) LMNAMAPTALDH1A1L3MBTL1KMT2A

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