SCHEMBL9335342

SCHEMBL9335342

C=C(C)CN(CCCOc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR4A2 P43354 1/20 0.47
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
PLA2G4B P0C869 3/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
RARB P10826 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9337596 0.89 MAPT (0.50) HTTPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL9335769 0.88 NR4A2 (0.51) HTTNR4A2TSHRTP53PLA2G4B
SCHEMBL9339404 0.85 TP53 (0.52) HTTNR4A2TSHRTP53PLA2G4B
SCHEMBL9339374 0.83 NR4A2 (0.51) HTTNR4A2TSHRTP53PLA2G4B
SCHEMBL9337360 0.82 MAPK1 (0.56) HTTNR4A2TSHRTP53PLA2G4B
SCHEMBL9339424 0.82 ALDH1A1 (0.54) HTTNR4A2TSHRTP53PLA2G4B
SCHEMBL9335662 0.82 NR4A2 (0.57) NR4A2TSHRTP53PLA2G4BALDH1A1
SCHEMBL9337184 0.82 NR4A2 (0.50) NR4A2TSHRTP53PLA2G4BALDH1A1
SCHEMBL9783690 0.81 NR4A2 (0.51) HTTPOLBAPEX1TDP1NR4A2
SCHEMBL9339110 0.80 NR4A2 (0.54) HTTNR4A2TSHRTP53PLA2G4B

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