SCHEMBL28369192

SCHEMBL28369192

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
FGFR4 P22455 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL28416843 0.83 TSHR (0.35) ALDH1A1TSHRFGFR4
SCHEMBL25468983 0.77 ALDH1A1 (0.42) ALDH1A1TSHRFGFR4TDP1
SCHEMBL28420020 0.77 ALDH1A1 (0.42) ALDH1A1TSHRFGFR4TDP1
SCHEMBL9174262 0.73 ALDH1A1 (0.42) ALDH1A1TSHRFGFR4TDP1
SCHEMBL21367920 0.71 ALDH1A1 (0.37) ALDH1A1TSHRFGFR4TDP1
SCHEMBL10344060 0.71 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL10344061 0.71 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL23945925 0.70
SCHEMBL24007417 0.70
SCHEMBL22996509 0.70

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
CN-107428212-B Tyre for vehicle wheels 株式会社普利司通 2020-03-31 CN disclosed