SCHEMBL9339153

SCHEMBL9339153

CC(CO)C(C)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL17604274 0.80 ALDH1A1 (0.50) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL1167951 0.80 ALDH1A1 (0.50) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL21128982 0.78 MEN1 (0.49) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL1006554 0.77 MEN1 (0.52) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL17604121 0.74 CNR1 (0.44) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL9335465 0.73 ALDH1A1 (0.47) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL17604111 0.73 HTT (0.47) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL632912 0.72 TDP1 (0.56) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL19707721 0.70 MEN1 (0.48) MEN1KMT2AMAPTMAPK1HTT
Hydrochloric Acid SCHEMBL9020829 0.70 TDP1 (0.54) MEN1KMT2AMAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394440-B1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1994-05-11 EP disclosed
US-4999378-A Antilipemic, anticholesterol, antidiabetic, treatment of atherosclerosis and obesity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-03-12 US disclosed
EP-0394440-A1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed