SCHEMBL3685378

SCHEMBL3685378

C=C(C)C(=O)OC(C)CCC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
BLM P54132 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ACE2 Q9BYF1 1/20 0.35
LTA4H P09960 1/20 0.34
THRB P10828 1/20 0.32
TGFBR1 P36897 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL2540758 0.90 TSHR (0.50) TSHRBLMALDH1A1THRBCHRM2
SCHEMBL23494300 0.84 TSHR (0.50) TSHRBLMALDH1A1THRBCHRM2
SCHEMBL2764335 0.82 TSHR (0.44) TSHRBLMALDH1A1THRBCHRM2
SCHEMBL18927192 0.82 TSHR (0.44) TSHRBLMALDH1A1THRBCHRM2
SCHEMBL2974754 0.81 TSHR (0.42) TSHRCYP1A2BLMALDH1A1
SCHEMBL28572398 0.80 FAAH (0.46) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL744318 0.80 TSHR (0.45) TSHRBLMALDH1A1THRBCHRM2
SCHEMBL27635138 0.80 TSHR (0.45) TSHRBLMALDH1A1THRBCHRM2
SCHEMBL437295 0.80 TSHR (0.45) TSHRBLMALDH1A1THRBCHRM2
SCHEMBL9509846 0.79 TSHR (0.48) TSHRGABRR1CYP1A2BLMACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162419-A1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE Evonik Röhm GmbH (DE) 2010-03-17 EP disclosed
WO-2009003745-A1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE EVONIK RÖHM GMBH (DE) 2009-01-08 WO disclosed