SCHEMBL8722237

SCHEMBL8722237

C=C(C)C(=O)N(S)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.31
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL6920209 0.75
SCHEMBL8642402 0.72 TDP1 (0.38) TDP1ALDH1A1FFAR3LCKFYN
SCHEMBL8433764 0.72 TDP1 (0.38) TDP1ALDH1A1FFAR3LCKFYN
SCHEMBL8743149 0.70 TDP1 (0.36) TDP1ALDH1A1FFAR3LCKFYN
SCHEMBL309028 0.67 TDP1 (0.44) TDP1ALDH1A1FFAR3LCKFYN
SCHEMBL22921 0.65
SCHEMBL10543953 0.65 TDP1 (0.42) TDP1ALDH1A1
SCHEMBL11347329 0.65
SCHEMBL9820420 0.65 TDP1 (0.42) TDP1ALDH1A1
SCHEMBL526286 0.65 TDP1 (0.42) TDP1ALDH1A1

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-5708064-A CONTAINING THERMOSETTING RESIN PPG INDUSTRIES, INC. (US) 1998-01-13 US disclosed