SCHEMBL9735478

SCHEMBL9735478

CC(=O)NO[C@@H](C=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)COC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 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
SCHEMBL9737328 0.86 TDP1 (0.46) TDP1
Bromide SCHEMBL1290055 0.77 TDP1 (0.46) TDP1
Bromide SCHEMBL1290128 0.77 TDP1 (0.46) TDP1
SCHEMBL28554669 0.75 TDP1 (0.47) TDP1ABCB1
SCHEMBL845645 0.75 TDP1 (0.47) TDP1ABCB1
SCHEMBL3489131 0.75 TDP1 (0.47) TDP1ABCB1
SCHEMBL669311 0.75 TDP1 (0.47) TDP1ABCB1
SCHEMBL11574659 0.74 TDP1 (0.69) TDP1ABCB1POLBMAPK1
SCHEMBL17635918 0.73 TDP1 (0.79) TDP1ABCB1POLBMAPK1
SCHEMBL16627356 0.73 TDP1 (0.79) TDP1ABCB1POLBMAPK1

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-5091523-A Bactericides, antitumor agent GEORGETOWN UNIVERSITY (US) 1992-02-25 US disclosed