SCHEMBL9042085

SCHEMBL9042085

CCC(C)(C)C(=O)OCc1cccc(C)c1/C=C\COc1ccc(C(=O)C(=O)OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.36
▸ PTPRC P08575 2/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAOA P21397 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ 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
SCHEMBL9041391 1.00 MAOB (0.36) MAOBPTPRCPTPN1KMT2AMAOA
SCHEMBL9041399 1.00 MAOB (0.36) MAOBPTPRCPTPN1KMT2AMAOA
SCHEMBL9043794 0.92 PTPRC (0.43) MAOBPTPRCPTPN1KMT2AMAOA
SCHEMBL9041671 0.92 PTPRC (0.43) MAOBPTPRCPTPN1KMT2AMAOA
SCHEMBL9042817 0.82 L3MBTL1 (0.40) MAOBPTPRCPTPN1MAOATDP1
SCHEMBL9042899 0.80 MAOB (0.38) MAOBPTPRCPTPN1MAOATDP1
SCHEMBL9041795 0.78 MAOB (0.36) MAOBPTPRCPTPN1MAOATDP1
SCHEMBL9043779 0.74 ALDH1A1 (0.33) MAOBKMT2AL3MBTL1ALDH1A1HTT
SCHEMBL9042766 0.73 PTPRC (0.47) MAOBPTPRCPTPN1MAOATDP1
SCHEMBL9043317 0.72 HIF1A (0.40) MAOBTDP1L3MBTL1ALDH1A1

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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