SCHEMBL1027014

SCHEMBL1027014

CC=C(C=CC(N)=O)C=CC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
FGFR4 P22455 1/20 0.35
DDAH1 O94760 1/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL23879511 0.92 DDAH1 (0.31) ALDH1A1TSHRFGFR4DDAH1
SCHEMBL17067247 0.83 ALDH1A1 (0.36) ALDH1A1TSHRFGFR4
SCHEMBL156118 0.79
SCHEMBL27641218 0.79 ALDH1A1 (0.50) ALDH1A1TSHRFGFR4DDAH1LMNA
SCHEMBL156117 0.79
SCHEMBL245241 0.79
Acetone SCHEMBL9147556 0.76 LMNA (0.50) ALDH1A1TSHRFGFR4DDAH1LMNA
Hydrochloric Acid SCHEMBL9156886 0.75
Calcium SCHEMBL29771114 0.75
Hydrochloric Acid SCHEMBL9156875 0.75

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-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