SCHEMBL9042165

SCHEMBL9042165

Cc1cccc(COC(=O)C(C)(C)C)c1OCCOc1ccc(C(=O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 4/20 0.49
▸ PTPN1 P18031 4/20 0.49
▸ MAOB P27338 1/20 0.43
▸ PTPN2 P17706 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ PTPRF P10586 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL9042766 0.91 PTPRC (0.47) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9044244 0.82 PTPRC (0.54) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9042817 0.82 L3MBTL1 (0.40) PTPRCPTPN1MAOBALDH1A1PKM
SCHEMBL9044383 0.79 L3MBTL1 (0.39) PTPRCPTPN1MAOBALDH1A1PKM
SCHEMBL9044386 0.79 L3MBTL1 (0.39) PTPRCPTPN1MAOBALDH1A1PKM
SCHEMBL9043749 0.79 PTPRC (0.45) PTPRCPTPN1MAOBPTPN2PTPRF
SCHEMBL9042223 0.79 FFAR1 (0.39) PTPRCPTPN1MAOBALDH1A1L3MBTL1
SCHEMBL9042022 0.78 PTPRC (0.37) PTPRCPTPN1MAOBPTPN2KDM4E
SCHEMBL9042326 0.78 PTPN1 (0.41) PTPRCPTPN1PTPN2PTPRFPKM
SCHEMBL9043309 0.76 HIF1A (0.40) MAOBALDH1A1L3MBTL1MAPTLMNA

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 claimed
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
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