SCHEMBL10499697

SCHEMBL10499697

CC(=O)O/C=C/c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GSR P00390 1/20 0.49
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ABCG2 Q9UNQ0 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15637612 0.83 GSR (0.47) MAOBHDAC1HDAC8HDAC6GSR
SCHEMBL11815004 0.80 MAPT (0.59) MAOBMAPTNPC1RAB9ALMNA
SCHEMBL3807035 0.80 ALDH1A1 (0.45) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL434269 0.80 MAPT (0.59) MAOBMAPTNPC1RAB9ALMNA
SCHEMBL10500469 0.79 GSR (0.58) MAOBHDAC1HDAC8HDAC6GSR
SCHEMBL10500140 0.79 MAPT (0.46) MAOBHDAC1HDAC8HDAC6GSR
SCHEMBL11810985 0.77 KDM4E (0.65) MAOBMAPTKMT2ANPC1RAB9A
SCHEMBL11810990 0.77 KDM4E (0.65) MAOBMAPTKMT2ANPC1RAB9A
SCHEMBL11224681 0.77 MAPT (0.58) MAOBMAPTKMT2ANPC1RAB9A
SCHEMBL27880439 0.77 GSR (0.55) MAOBHDAC1HDAC8HDAC6GSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed