SCHEMBL9329254

SCHEMBL9329254

O=C(CO)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.63
▸ MAPT P10636 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ CDC25B P30305 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ NR4A1 P22736 1/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45

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
SCHEMBL700595 0.84 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1CDC25B
SCHEMBL29447165 0.84 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1CDC25B
SCHEMBL27722338 0.82 AKR1C3 (0.47) AKR1C3MAPTGAAALDH1A1ATM
SCHEMBL27409330 0.82 MEN1 (0.62) AKR1C3MAPTGAAALDH1A1CDC25B
SCHEMBL28883310 0.82 AKR1C3 (0.81) AKR1C3MAPTGAAALDH1A1CDC25B
Fluoride SCHEMBL28319246 0.82 AKR1C3 (0.81) AKR1C3MAPTGAAALDH1A1CDC25B
SCHEMBL9860289 0.82 AKR1C3 (0.61) AKR1C3MAPTGAAALDH1A1CDC25B
SCHEMBL9299115 0.82 AKR1C3 (0.61) AKR1C3MAPTGAAALDH1A1CDC25B
SCHEMBL11357113 0.80 ALDH1A1 (0.67) AKR1C3MAPTALDH1A1CDC25BATM
SCHEMBL29163962 0.80 AKR1C3 (0.77) AKR1C3MAPTGAAALDH1A1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100549847-C Charge control agent and correlation technique thereof ORIENT CHEMICAL IND (JP) 2009-10-14 — — CN disclosed
CN-100439443-C Dual cure emulsions CRAY VALLEY ZBERICA (ES) 2008-12-03 — — CN disclosed
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 — — CN disclosed
CN-1628149-A Dual cure emulsions CRAY VALLEY ZBERICA (ES) 2005-06-15 — — CN disclosed
CN-1194648-A Spiro [ 2H-1-benzopyran-2, 4' -piperidine ] -4- (3H) -one derivatives, acid addition salts thereof and pharmaceutical compositions containing them RICHTER GEDEON VEGY ZETI GYAR (HU) 1998-09-30 — — CN disclosed
EP-0377191-B1 Radiation-sensitive ethylenically unsaturated copolymerisable compounds, and process for their preparation BASF AG (DE) 1994-03-23 — — EP disclosed
EP-0499836-A2 Carbonate and carbonyl-containing compounds, their preparation and applications BASF Aktiengesellschaft (DE) 1992-08-26 — — EP disclosed
EP-0377191-A2 Radiation-sensitive ethylenically unsaturated copolymerisable compounds, and process for their preparation BASF Aktiengesellschaft (DE) 1990-07-11 — — EP disclosed
Send feedback