SCHEMBL8105045

SCHEMBL8105045

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
FGFR4 P22455 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL28195962 0.84 TDP1 (0.38) ALDH1A1TSHRFGFR4TDP1LMNA
Acetic Acid SCHEMBL1160862 0.79 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4TDP1LMNA
SCHEMBL10901739 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8570758 0.76 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LMNA
SCHEMBL8944182 0.76 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL517190 0.76 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL731666 0.76 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LMNA
SCHEMBL8760513 0.76 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LMNA
SCHEMBL3683540 0.76 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL25416543 0.74 TDP1 (0.38) ALDH1A1TSHRFGFR4TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084029-A POLYOLEFINS GRAFTED WITH AN UNSATURATED CARBOXYLIC ACID AND/OR AN UNSATURATED CARBOXYLIC ACID ANHYDRIDE AND A POLYMERIC OR OLIGOMERIC POLYAMINE, FOR EXTRUSION OR CASTING THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed