SCHEMBL9701719

SCHEMBL9701719

C/C=C/C.C/C=C/CC.C/C=C/CC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31

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
SCHEMBL9701721 1.00 TRPA1 (0.37) TRPA1TSHRALDH1A1MAPK1TDP1
SCHEMBL1276396 1.00
SCHEMBL1276395 1.00
SCHEMBL1275676 0.96 TRPA1 (0.35) TRPA1TSHRALDH1A1TDP1FFAR1
SCHEMBL25429748 0.96 TRPA1 (0.39) TRPA1TSHRALDH1A1MAPK1TDP1
SCHEMBL671814 0.96 TRPA1 (0.39) TRPA1TSHRALDH1A1MAPK1TDP1
SCHEMBL20191 0.96
SCHEMBL118763 0.96
SCHEMBL26536 0.96
Hydrogen Sulfide SCHEMBL15282522 0.92 TRPA1 (0.37) TRPA1TSHRALDH1A1MAPK1TDP1

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-5079302-A POLYMERIZATION PROCESS AND THE POLYMERS THEREOF UNIVERSITY OF AKRON (US) 1992-01-07 US disclosed