SCHEMBL9339052

SCHEMBL9339052

CCC(CCO)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
CRHR1 P34998 1/20 0.44
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9336969 0.88 KCNH2 (0.42) HTTCRHR1TDP1SMN1; SMN2MEN1
SCHEMBL17604111 0.85 HTT (0.47) HTTCRHR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL27398194 0.85 CRHR1 (0.46) HTTCRHR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL9335465 0.78 ALDH1A1 (0.47) HTTALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL10761854 0.76 SMN1; SMN2 (0.46) HTTCRHR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8996253 0.75 HTT (0.49) HTTCRHR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8996311 0.75 HTT (0.49) HTTCRHR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL13675540 0.74 HTT (0.44) HTTCRHR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL13675543 0.74 HTT (0.44) HTTCRHR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8996243 0.73 HTT (0.47) HTTCRHR1ALDH1A1TDP1SMN1; SMN2

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