SCHEMBL1027804

SCHEMBL1027804

CC/C(=C(/C)C(N)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
ESR1 P03372 5/20 0.46
CYP19A1 P11511 4/20 0.46
ESR2 Q92731 2/20 0.46
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.45
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PGR P06401 1/20 0.44
PTGS2 P35354 2/20 0.44
GAA P10253 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
SCHEMBL27243154 0.84 CES2 (0.50) CES2CES1ESR1CYP19A1ESR2
SCHEMBL7174103 0.84 CES2 (0.50) CES2CES1ESR1CYP19A1ESR2
SCHEMBL5279624 0.84 CES2 (0.50) CES2CES1ESR1CYP19A1ESR2
SCHEMBL349595 0.84 CES2 (0.50) CES2CES1ESR1CYP19A1ESR2
SCHEMBL27654505 0.81 CES2 (0.47) CES2CES1ESR1CYP19A1ESR2
SCHEMBL6064356 0.79 CES2 (0.46) CES2CES1ESR1CYP19A1ESR2
SCHEMBL6666600 0.78 CES2 (0.48) CES2CES1ESR1CYP19A1ESR2
SCHEMBL6630045 0.78 CES2 (0.48) CES2CES1ESR1CYP19A1ESR2
SCHEMBL29117890 0.78 TSHR (0.47) CES2CES1ESR1CYP19A1ESR2
SCHEMBL27654691 0.78 ESR1 (0.45) CES2CES1ESR1CYP19A1ESR2

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-20110089020-A1 Continuous Method for Producing Amides of Ethylenically Unsaturated Carboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-21 US disclosed
EP-2274273-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2011-01-19 EP disclosed
WO-2009121486-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2009-10-08 WO disclosed
EP-0249078-A2 Optically active adsorbents MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed