SCHEMBL9044386

SCHEMBL9044386

CCC(C)(C)C(=O)OCc1cccc(C)c1OCCOc1ccc(C(=NOC)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAOB P27338 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL9044383 1.00 L3MBTL1 (0.39) L3MBTL1MAPTLMNAMAOBTDP1
SCHEMBL9043317 0.93 HIF1A (0.40) L3MBTL1MAPTLMNAMAOBTDP1
SCHEMBL9043309 0.93 HIF1A (0.40) L3MBTL1MAPTLMNAMAOBTDP1
SCHEMBL9042766 0.87 PTPRC (0.47) L3MBTL1MAPTLMNAMAOBTDP1
SCHEMBL9042817 0.85 L3MBTL1 (0.40) L3MBTL1MAPTLMNAMAOBTDP1
SCHEMBL9043071 0.81 PPARA (0.34) L3MBTL1MAPTLMNAMAOBTDP1
SCHEMBL9042223 0.79 FFAR1 (0.39) L3MBTL1LMNAMAOBALDH1A1PTPRC
SCHEMBL9042165 0.79 PTPRC (0.49) L3MBTL1MAPTLMNAMAOBTDP1
SCHEMBL9044253 0.78 ALDH1A1 (0.38) L3MBTL1MAPTLMNAMAOBALDH1A1
SCHEMBL9043749 0.76 PTPRC (0.45) L3MBTL1MAOBTDP1GAAPTPRC

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