SCHEMBL8622367

SCHEMBL8622367

CC(O)CC(=O)OCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP2 P08253 1/20 0.47
CA9 Q16790 1/20 0.47
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6156765 0.86 MEN1 (0.49) ALDH1A1GAAHTTMEN1MAPT
SCHEMBL8333813 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL9340087 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL3003431 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL8832072 0.83 ALDH1A1 (0.51) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL24616786 0.82 HTT (0.51) ALDH1A1GAAHTTKMT2APOLB
SCHEMBL24387633 0.82 HTT (0.51) ALDH1A1GAAHTTKMT2APOLB
Hydrochloric Acid SCHEMBL27562906 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL27884800 0.79 MEN1 (0.50) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL9976423 0.79 MMP2 (0.51) ALDH1A1GAAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed
EP-0611749-B1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMA CO LTD (JP) 1997-10-22 EP disclosed
US-5616803-A EXHIBIT SQUALENE SYNTHASE-INHIBITORY ACTIVITIES; USEFUL IN TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA, HYPERLIPEMIA AND ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-04-01 US disclosed
US-5606101-A INTERMEDIATES FOR SQUALENE SYNTHASE INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-02-25 US disclosed
US-5488149-A SQUALENE SYNTHASE INHIBITORS AS ANTICHOLESTEROL OR ANTILIPEMIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-30 US disclosed
EP-0611749-A1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-08-24 EP disclosed