SCHEMBL8623942

SCHEMBL8623942

CC(O)C(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
KMO O15229 3/20 0.46
TSHR P16473 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL8621307 1.00 PNMT (0.53) PNMTKMOTSHRSIGMAR1MAOA
SCHEMBL6006032 0.89 PNMT (0.54) PNMTTSHRSIGMAR1MAOAMAOB
SCHEMBL6005581 0.81 PNMT (0.58) PNMTKMOTSHRSIGMAR1MAOA
SCHEMBL5130053 0.81 PNMT (0.58) PNMTKMOTSHRSIGMAR1MAOA
SCHEMBL6003855 0.81 PNMT (0.58) PNMTKMOTSHRSIGMAR1MAOA
SCHEMBL5811019 0.80 PNMT (0.49) PNMTTSHRMAOAMAOB
SCHEMBL2164411 0.80 KDM6B (0.61) PNMTKMOTSHRPPARGPPARA
SCHEMBL2164417 0.80 KDM6B (0.61) PNMTKMOTSHRPPARGPPARA
SCHEMBL4439324 0.79 PNMT (0.53) PNMTKMOTSHRPPARGPPARA
SCHEMBL9781682 0.78 KMO (0.56) PNMTKMOTSHRPPARGPPARA

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