SCHEMBL7515731

SCHEMBL7515731

CC(=O)OC(C)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
SSTR4 P31391 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3716250 0.88 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5932136 0.86 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5932125 0.86 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL17209569 0.85 ALOX5 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5933190 0.85 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL8961331 0.85 ALOX5 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5655815 0.85 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5933199 0.85 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5655825 0.85 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL8467415 0.85 ALOX5 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO claimed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO claimed
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO disclosed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO disclosed
EP-0592552-B1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES DU PONT (US) 1997-05-28 EP disclosed
US-5596114-A ENANTIOSELECTIVE HYDROGENATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-21 US disclosed
US-5565593-A FERROCENYL-1,1'-BIS(DIETHYPHOSPHONITE); CHEMICAL INTERMEDIATES FOR PREPERATION OF PHOSPHOLANE LIGANDS AND CHIRAL COMPLEXES, USEFUL AS CATALYSTS FOR CARRYING OUT ENANTIOSELECTIVE REACTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-15 US disclosed
US-5559267-A ENANTIOMORPHS, STEREOCHEMICAL CONTROL AND ASSYMETRIC INDUCTION, HYDROGENATION OF UNSATURATED ESTERS, COORDINATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US disclosed
US-5532395-A HYDROGENATION CATALYSTS ) E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-02 US disclosed
US-5386061-A Reacting a bis(primary phosphine in the presence of a strong base with a cyclic sulfate; cyclization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-31 US disclosed
US-5329015-A Catalysts for stereospecific reactions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-12 US disclosed
WO-1993001199-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-21 WO disclosed
US-5171892-A Chiral phospholanes via chiral 1,4-diol cyclic sulfates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-15 US disclosed