SCHEMBL6442911

SCHEMBL6442911

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.44
AKT1 P31749 1/20 0.43
SRC P12931 1/20 0.40
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33
KCNN4 O15554 1/20 0.33
TGM2 P21980 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
CES2 O00748 1/20 0.32
GSR P00390 1/20 0.32

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 0.78 CES1 (0.51) CES1SRCALDH1A1TSHRF2
SCHEMBL11117628 0.77 CES1 (0.69) CES1AKT1SRCTHRBALDH1A1
SCHEMBL7859075 0.77 HTT (0.46) CES1AKT1THRBALDH1A1TSHR
SCHEMBL11101775 0.77 CES1 (0.53) CES1SRCALDH1A1TSHRKDM4E
SCHEMBL2848662 0.77 AKT1 (0.46) CES1AKT1SRCTHRBALDH1A1
SCHEMBL6445934 0.76 CES1 (0.46) CES1SRCALDH1A1TSHRLMNA
SCHEMBL621110 0.75 CES1 (0.52) CES1SRCALDH1A1TSHRF2
SCHEMBL438661 0.75 THRB (0.43) CES1AKT1THRBALDH1A1TSHR
SCHEMBL22472203 0.75 THRB (0.43) CES1AKT1THRBALDH1A1TSHR
SCHEMBL3689197 0.75 THRB (0.45) CES1AKT1SRCTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680364-B1 Water dispersible polyamides with ethylenically unsaturated ends ATOFINA (FR) 2004-01-20 US claimed
EP-1187869-B1 WATER DISPERSIBLE POLYAMIDES WITH ETHYLENICALLY UNSATURATED ENDS ATOFINA (FR) 2002-12-04 EP 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