SCHEMBL4034459

SCHEMBL4034459

C=CCOC(=O)c1ccccc1OC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
HSD17B10 Q99714 4/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
LIG1 P18858 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
RHOA P61586 1/20 0.46
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS2 P35354 1/20 0.42
PKM P14618 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
SCHEMBL4034461 0.89 CYP3A4 (0.72) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL12904274 0.86 CYP3A4 (0.68) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL4629655 0.86 CYP3A4 (0.68) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL10538212 0.84 CYP3A4 (0.74) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL174686 0.84 CYP3A4 (0.74) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL8169878 0.84 CYP3A4 (0.64) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL7512172 0.84 CYP3A4 (0.64) CYP3A4HSD17B10ALDH1A1TSHRLIG1
Bicarbonate SCHEMBL20838538 0.83 CYP3A4 (0.92) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL6270169 0.83 CYP3A4 (0.59) CYP3A4HSD17B10ALDH1A1TSHRLIG1
SCHEMBL11121490 0.83 CYP3A4 (0.68) CYP3A4HSD17B10ALDH1A1TSHRLIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052009-B1 METHOD OF PREPARING POLYCARBONATE SABIC INNOVATIVE PLASTICS IP (NL) 2012-12-19 EP disclosed
CN-101641392-A Polycarbonate and method for producing same GEN ELECTRIC NL 2010-02-03 CN disclosed
EP-2074160-A2 POLYCARBONATES AND METHOD OF PREPARING SAME Sabic Innovative Plastics IP B.V. (NL) 2009-07-01 EP disclosed
EP-2052009-A1 METHOD OF PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2009-04-29 EP disclosed
US-7498400-B2 Method of preparing polycarbonate SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-03-03 US disclosed
US-7482423-B2 Polycarbonates and method of preparing same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-01-27 US disclosed
WO-2008005623-A2 POLYCARBONATES AND METHOD OF PREPARING SAME SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-01-10 WO disclosed
WO-2008005648-A1 METHOD OF PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2008-01-10 WO disclosed
US-20080004418-A1 Reacting dihydroxy compound with an activated diaryl carbonate in the presence of an esterification catalyst to produce a polycarbonate, wherein the carbonate reaction component and the dihydroxy reaction component are reacted in the presence of a monofunctional chainstopper; color, hydrolytic stability GENERAL ELECTRIC COMPANY (US) 2008-01-03 US disclosed
US-20080004417-A1 Polycarbonates and method of preparing same GENERAL ELECTRIC COMPANY (US) 2008-01-03 US disclosed