SCHEMBL6259079

SCHEMBL6259079

CCc1ccc(C(=O)C(=O)c2ccc(CC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
PLK1 P53350 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
CES2 O00748 7/20 0.52
CES1 P23141 7/20 0.52
TDP1 Q9NUW8 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 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
SCHEMBL9420265 0.93 ALDH1A1 (0.61) ALDH1A1PLK1SMN1; SMN2CES2CES1
SCHEMBL28417303 0.91 CES2 (0.70) ALDH1A1PLK1SMN1; SMN2CES2CES1
SCHEMBL2836495 0.91 ALDH1A1 (0.65) ALDH1A1PLK1CES2CES1RXRA
SCHEMBL28404667 0.88 ALDH1A1 (0.68) ALDH1A1PLK1SMN1; SMN2CES2CES1
SCHEMBL17802303 0.88 ALDH1A1 (0.61) ALDH1A1PLK1SMN1; SMN2CES2CES1
SCHEMBL11795577 0.87 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2CES2CES1
SCHEMBL13686078 0.87 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2CES2CES1
SCHEMBL10788805 0.86 ALDH1A1 (0.59) ALDH1A1PLK1SMN1; SMN2TDP1TAS1R3
SCHEMBL9850596 0.84 THRA (0.64) ALDH1A1PLK1SMN1; SMN2TDP1TAS1R3
SCHEMBL2935942 0.84 ALDH1A1 (0.70) ALDH1A1PLK1SMN1; SMN2TDP1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409437-B1 Process for preparing aromatic polycarboxylic acids KUREHA CHEMICAL IND CO LTD (JP) 1994-09-21 EP claimed
EP-0596876-A1 CHELATOR COMPOSITIONS COMPRISING ALPHA-DIAMINE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1994-05-18 EP claimed
EP-0596876-A4 CHELATOR COMPOSITIONS COMPRISING ALPHA-DIAMINE COMPOUNDS. PROCTER & GAMBLE (US) 1993-03-01 EP claimed
US-5087742-A Catalytic oxidation of benzil derivative KUREHA KAGAKU KOGYO K.K. (JP) 1992-02-11 US claimed
WO-1991016035-A1 CHELATOR COMPOSITIONS COMPRISING ALPHA-DIAMINE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1991-10-31 WO claimed
EP-0409437-A2 Process for preparing aromatic polycarboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-23 EP claimed
EP-1576418-A1 COLOR FILTER BLACK MATRIX RESIST COMPOSITION AND CARBON BLACK DISPERSION COMPOSITION USED FOR THE COMPOSITION Showa Denko K.K. (JP) 2005-09-21 EP disclosed
WO-2004055597-A1 COLOR FILTER BLACK MATRIX RESIST COMPOSITION AND CARBON BLACK DISPERSION COMPOSITION USED FOR THE COMPOSITION SHOWA DENKO K. K. (JP) 2004-07-01 WO disclosed
EP-0409437-B1 Process for preparing aromatic polycarboxylic acids KUREHA CHEMICAL IND CO LTD (JP) 1994-09-21 EP disclosed
EP-0596876-A1 CHELATOR COMPOSITIONS COMPRISING ALPHA-DIAMINE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1994-05-18 EP disclosed
EP-0596876-A4 CHELATOR COMPOSITIONS COMPRISING ALPHA-DIAMINE COMPOUNDS. PROCTER & GAMBLE (US) 1993-03-01 EP disclosed
US-5087742-A Catalytic oxidation of benzil derivative KUREHA KAGAKU KOGYO K.K. (JP) 1992-02-11 US disclosed
WO-1991016035-A1 CHELATOR COMPOSITIONS COMPRISING ALPHA-DIAMINE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1991-10-31 WO disclosed
EP-0409437-A2 Process for preparing aromatic polycarboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-23 EP disclosed