SCHEMBL8916241

SCHEMBL8916241

C=C(C)C(=O)C=CCSSCC=CC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
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
SCHEMBL14541957 0.76
SCHEMBL482728 0.74
SCHEMBL11260859 0.74
SCHEMBL21081783 0.74 TDP1 (0.44) ALDH1A1TDP1
SCHEMBL31362257 0.73 ALDH1A1 (0.58) ALDH1A1TDP1
SCHEMBL3265856 0.71 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7633937 0.70 ALDH1A1 (0.46) ALDH1A1
SCHEMBL18857787 0.67
SCHEMBL14541959 0.67
SCHEMBL14330397 0.67

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-5670657-A DISULFIDE CYCLIC COMPOUND FOR PRECIOUS METAL ADHESIVES KABUSHIKI KAISHA SHOFU (JP) 1997-09-23 US disclosed