SCHEMBL8624912

SCHEMBL8624912

CC(=O)C(CCc1ccc(Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
LMNA P02545 2/20 0.44
PMP22 Q01453 1/20 0.44
NLRP3 Q96P20 1/20 0.44
GAA P10253 2/20 0.41
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1B Q00975 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
DPP4 P27487 1/20 0.37
GRIN2D O15399 1/20 0.37

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
SCHEMBL8619631 0.85 CYP3A4 (0.47) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL7057941 0.85 MMP1 (0.48) MMP1MMP3MMP9CTSK
SCHEMBL11552096 0.84 ALDH1A1 (0.43) LMNAGAAMMP1MMP3MMP9
SCHEMBL7055394 0.84 GAA (0.42) CYP1A2CYP2D6CYP2C19GAAPPARG
SCHEMBL7057182 0.82 EPHX2 (0.44) CYP3A4CYP1A2CYP2C19LMNAPMP22
SCHEMBL7062574 0.81 MEN1 (0.41) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL7059056 0.78 PPARA (0.49) CYP3A4CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL2685513 0.78 PPARG (0.49) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL191891 0.78 PPARG (0.49) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL191892 0.78 PPARG (0.49) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9

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