SCHEMBL6445934

SCHEMBL6445934

C=C(C)C(=O)OC(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.46
ELANE P08246 2/20 0.45
SRC P12931 1/20 0.42
TDP1 Q9NUW8 3/20 0.37
ATM Q13315 2/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CES2 O00748 1/20 0.35
KCNN4 O15554 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
XBP1 P17861 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL173918 0.83 CES1 (0.51) CES1ELANESRCTDP1MAPT
SCHEMBL2847525 0.79 ELANE (0.49) CES1ELANESRCTDP1ATM
SCHEMBL8988148 0.78 ELANE (0.44) CES1ELANETDP1ATMMAPT
SCHEMBL11876274 0.77 CYP2C19 (0.43) CES1ELANETDP1ATMMAPT
SCHEMBL435821 0.76 ELANE (0.45) CES1ELANETDP1ATMMAPT
SCHEMBL277653 0.76 CES1 (0.65) CES1SRCTDP1MAPTALDH1A1
SCHEMBL3180129 0.76 CYP2C19 (0.46) CES1ELANETDP1ATMMAPT
SCHEMBL6442911 0.76 CES1 (0.44) CES1SRCTDP1ALDH1A1CES2
SCHEMBL11101775 0.76 CES1 (0.53) CES1SRCTDP1MAPTALDH1A1
SCHEMBL3393201 0.75 ALDH1A1 (0.48) CES1ELANETDP1ATMMAPT

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
EP-1187869-B1 WATER DISPERSIBLE POLYAMIDES WITH ETHYLENICALLY UNSATURATED ENDS ATOFINA (FR) 2002-12-04 EP claimed
EP-0296220-A4 WETTABLE, HYDROPHILIC, SOFT AND OXYGEN PERMEABLE COPOLYMER COMPOSITIONS. CHANG SING-HSIUNG (US) 1989-05-11 EP claimed
EP-0296220-A1 WETTABLE, HYDROPHILIC, SOFT AND OXYGEN PERMEABLE COPOLYMER COMPOSITIONS CHANG, Sing-Hsiung (US) 1988-12-28 EP claimed
WO-1988005060-A1 WETTABLE, HYDROPHILIC, SOFT AND OXYGEN PERMEABLE COPOLYMER COMPOSITIONS CHANG SING HSIUNG (US) 1988-07-14 WO claimed
US-8642716-B2 Branched polyamides comprising unsaturated ends ARKEMA FRANCE (FR) 2014-02-04 US disclosed
US-20050245680-A1 Branched polyamides comprising unsaturated ends ARKEMA FRANCE (FR) 2005-11-03 US disclosed
US-6680364-B1 Water dispersible polyamides with ethylenically unsaturated ends ATOFINA (FR) 2004-01-20 US disclosed
US-4112212-A Ultra-high molecular weight polymethacryloyloxybenzoic acid and method of preparation CELANESE CORPORATION (US) 1978-09-05 US disclosed