SCHEMBL9044919

SCHEMBL9044919

CCC(C)(C)C(=O)OCc1cccc(C)c1OCCOc1ccc([C@H](N)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ FFAR1 O14842 3/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ PTGER4 P35408 2/20 0.37
▸ PTGER3 P43115 2/20 0.37
▸ PTGER2 P43116 2/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ LAP3 P28838 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL9042223 0.90 FFAR1 (0.39) L3MBTL1FFAR1PRKCAPRKCDLMNA
SCHEMBL9042145 0.85 L3MBTL1 (0.41) L3MBTL1MAPTITGB3ITGA2B
SCHEMBL9042766 0.81 PTPRC (0.47) L3MBTL1FFAR1MAPTLMNARAB9A
SCHEMBL9042817 0.77 L3MBTL1 (0.40) L3MBTL1MAPTLMNARAB9A
SCHEMBL9043071 0.76 PPARA (0.34) L3MBTL1FFAR1PTGER4PTGER3PTGER2
SCHEMBL9044383 0.76 L3MBTL1 (0.39) L3MBTL1FFAR1MAPTLMNARAB9A
SCHEMBL9044386 0.76 L3MBTL1 (0.39) L3MBTL1FFAR1MAPTLMNARAB9A
SCHEMBL9044253 0.75 ALDH1A1 (0.38) L3MBTL1PTGER4PTGER3PTGER2PTGER1
SCHEMBL9042165 0.73 PTPRC (0.49) L3MBTL1PRKCAPRKCDMAPTLMNA
SCHEMBL9043317 0.73 HIF1A (0.40) L3MBTL1MAPTLMNARAB9A

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-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 — — EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 — — US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 — — EP disclosed
Send feedback