SCHEMBL6689689

SCHEMBL6689689

CCC(CN)CC(C)(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7917851 0.84 TSHR (0.33) TDP1
SCHEMBL20530395 0.84 TSHR (0.33) TDP1
SCHEMBL21320550 0.78 ALDH1A1 (0.39) ALDH1A1TDP1
Ethyne SCHEMBL25425658 0.78 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL23906868 0.77 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL7645541 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7034551 0.75
SCHEMBL10186953 0.75
SCHEMBL8421787 0.75
SCHEMBL9190994 0.73 CACNA2D1 (0.35) TDP1

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
EP-1080147-B1 METHODS AND COMPOSITIONS FOR PROTECTING POLYMERS FROM UV LIGHT CYTEC TECH CORP (US) 2004-11-10 EP claimed