SCHEMBL9041795

SCHEMBL9041795

CCC(C)(C)C(=O)OCc1cccc(C)c1C#CCOc1ccc(C(=O)C(=O)OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ PTPRC P08575 2/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GLA P06280 1/20 0.30

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
SCHEMBL9043144 0.92 PTPRC (0.43) MAOBKDM4EALDH1A1PTPRCPTPN1
SCHEMBL9042817 0.82 L3MBTL1 (0.40) MAOBALDH1A1PTPRCPTPN1MAOA
SCHEMBL9042899 0.80 MAOB (0.38) MAOBKDM4EALDH1A1PTPRCPTPN1
SCHEMBL9041391 0.78 MAOB (0.36) MAOBKDM4EALDH1A1PTPRCPTPN1
SCHEMBL9042085 0.78 MAOB (0.36) MAOBKDM4EALDH1A1PTPRCPTPN1
SCHEMBL9041399 0.78 MAOB (0.36) MAOBKDM4EALDH1A1PTPRCPTPN1
SCHEMBL9043779 0.74 ALDH1A1 (0.33) MAOBKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9042766 0.73 PTPRC (0.47) MAOBPTPRCPTPN1MAOAMAPT
SCHEMBL9043317 0.72 HIF1A (0.40) MAOBALDH1A1MAPTTDP1L3MBTL1
SCHEMBL9043309 0.72 HIF1A (0.40) MAOBALDH1A1MAPTTDP1L3MBTL1

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
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