SCHEMBL9860289

SCHEMBL9860289

CCC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.61
▸ MAPT P10636 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CDC25B P30305 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CES1 P23141 2/20 0.48
▸ CES2 O00748 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ ELANE P08246 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL27533660 0.85 AKR1C3 (0.48) AKR1C3MAPTGAAALDH1A1HPGD
SCHEMBL10031560 0.85 NR4A1 (0.64) AKR1C3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL12049900 0.85 SMN1; SMN2 (0.49) AKR1C3MAPTGAAALDH1A1HPGD
SCHEMBL28571363 0.85 AKR1C3 (0.48) AKR1C3MAPTGAAALDH1A1HPGD
SCHEMBL13990159 0.85 L3MBTL1 (0.52) MAPTALDH1A1SMN1; SMN2L3MBTL1CES1
SCHEMBL27342679 0.85 AKR1C3 (0.57) AKR1C3MAPTGAAALDH1A1HPGD
SCHEMBL700595 0.82 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1L3MBTL1
SCHEMBL29447165 0.82 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1L3MBTL1
Propiophenone SCHEMBL28571362 0.82 SMN1; SMN2 (0.53) AKR1C3MAPTGAAALDH1A1HPGD
SCHEMBL27285863 0.82 CES2 (0.54) AKR1C3MAPTGAAALDH1A1L3MBTL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100476966-C Optical information recording medium HITACHI MAXELL (JP) 2009-04-08 — — CN disclosed
CN-100416683-C Optical information recording medium and stamper HITACHI MAXELL (JP) 2008-09-03 — — CN disclosed
CN-100372840-C Intermediate for the preparation of epimino BAYER AG (DE) 2008-03-05 — — CN disclosed
CN-101130514-A Intermediate for the preparation of epimino BAYER AG (DE) 2008-02-27 — — CN disclosed
CN-1848263-A Optical information recording medium and stamper HITACHI MAXELL (JP) 2006-10-18 — — CN disclosed
CN-1848264-A Optical information recording medium HITACHI MAXELL (JP) 2006-10-18 — — CN disclosed
CN-1247541-C Cyclic imines as pesticides BAYER AG (DE) 2006-03-29 — — CN disclosed
CN-1704406-A Intermediate for the preparation of epimino BAYER AG (DE) 2005-12-07 — — CN disclosed
CN-1454388-A Electrolyte composition and solid polymer electrolyte for electric double-layer capacitor, polar electrode composition, polar electrode, and electric double-layer capacitor NISSHIN SPINNING (JP) 2003-11-05 — — CN disclosed
CN-1244860-A Cyclic imines as pesticides BAYER AG (DE) 2000-02-16 — — CN disclosed
CN-1040321-C Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating HIV and other retroviruses UPJOHN CO (US) 1998-10-21 — — CN disclosed
CN-1178782-A Purifying method for 1, 1, 1 -tri(4 -hydroxy-phenyl) paraffin GEN ELECTRIC (US) 1998-04-15 — — CN disclosed
CN-1090279-A Be used for the treatment of HIV and other retroviral pyran-2-ones and 5,6-dihydropyrane-2-ketone UPJOHN CO (US) 1994-08-03 — — CN disclosed
EP-0424242-A2 Process for preparing carboxylic acids by means of oxidation of corresponding aldehydes L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1991-04-24 — — EP disclosed
EP-0100250-A2 Methylflavone derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1984-02-08 — — EP disclosed
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