SCHEMBL8834751

SCHEMBL8834751

CC=CC(=O)NCCCOc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.56
MAOB P27338 4/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
RAB9A P51151 3/20 0.54
AR P10275 2/20 0.54
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 2/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL10804580 0.85 MAOB (0.58) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL30862482 0.85 ALDH1A1 (0.57) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL18921197 0.85 ALDH1A1 (0.57) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL8834965 0.83 MAOB (0.58) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL8835418 0.83 MAOB (0.60) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL7915768 0.82 ALDH1A1 (0.58) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL8835021 0.81 KMT2A (0.60) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL8834944 0.81 IGLV6-57 (0.58) KMT2AMEN1RAB9AARKDM4E
SCHEMBL12617766 0.81 CYP1A1 (0.60) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL12617458 0.81 MAOB (0.67) MAOAMAOBKMT2AMEN1RAB9A

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-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed