SCHEMBL2213827

SCHEMBL2213827

O=C(O)CC(Cc1ccccc1)(OO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AKR1B1 P15121 1/20 0.41
CYP2C19 P33261 3/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A3 Q01959 2/20 0.38
FDPS P14324 1/20 0.38
SLC6A2 P23975 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP8 P22894 2/20 0.37
SLC13A5 Q86YT5 1/20 0.37
CYP1A2 P05177 2/20 0.37
PAM P19021 1/20 0.37

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
SCHEMBL28057311 0.84 HIF1A (0.46) HIF1ASMN1; SMN2AKR1B1CYP2C19PPARG
SCHEMBL673676 0.83 HIF1A (0.44) HIF1ASMN1; SMN2AKR1B1CYP2C19PPARG
SCHEMBL13688683 0.76 ALDH1A1 (0.41) HIF1ASMN1; SMN2AKR1B1CYP2C19PPARG
SCHEMBL108616 0.76 ALDH1A1 (0.43) HIF1ACYP2C19ALDH1A1TDP1CYP2D6
SCHEMBL2315211 0.74 ALDH1A1 (0.42) HIF1ACYP2C19ALDH1A1TDP1CYP2D6
SCHEMBL2966015 0.74 ALDH1A1 (0.42) HIF1ACYP2C19ALDH1A1TDP1CYP2D6
SCHEMBL4118128 0.74 ALDH1A1 (0.42) HIF1ACYP2C19ALDH1A1TDP1CYP2D6
Water SCHEMBL2959958 0.74 ALDH1A1 (0.42) HIF1ACYP2C19ALDH1A1TDP1CYP2D6
SCHEMBL337214 0.74 ALDH1A1 (0.42) HIF1ACYP2C19ALDH1A1TDP1CYP2D6
SCHEMBL11021067 0.74 ALDH1A1 (0.42) HIF1ACYP2C19ALDH1A1TDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213077-A1 Hydroquinone-containing polyesters having improved whiteness SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-09-01 US disclosed
US-20110204407-A1 Power LED device with a reflector made of aromatic polyester and/or wholly aromatic polyester SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-08-25 US disclosed
EP-2342255-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
EP-2342766-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
WO-2010049531-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
WO-2010049526-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
EP-1498442-B1 Method for the preparation of a polyester block copolymer composition DAICEL CHEM (JP) 2009-02-11 EP disclosed
US-7196123-B2 Polyester block copolymer composition and process for the preparation thereof WATANABE JUN 2007-03-27 US disclosed
EP-1498442-A2 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof Daicel Chemical Industries, Ltd. (JP) 2005-01-19 EP disclosed
US-20040010092-A1 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof WATANABE JUN (JP) 2004-01-15 US disclosed
US-6593434-B1 Condensation polymerization, esterification, melt mixing or kneading; high molecular weight, low crystallinity DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1120432-A1 PROCESS FOR THE PRODUCTION OF POLYESTER BLOCK COPOLYMERS, POLYESTER BLOCK COPOLYMER COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-08-01 EP disclosed