SCHEMBL9943757

SCHEMBL9943757

CC(C)(C)C(c1ccccc1)C(NC(=O)OCc1cncs1)C(O)CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3015198 0.86 TDP1 (0.48) CYP3A4TDP1
SCHEMBL892868 0.84 CYP3A4 (0.51) CYP3A4
SCHEMBL893703 0.84 CYP3A4 (0.51) CYP3A4
SCHEMBL9015373 0.81 TDP1 (0.48) CYP3A4TDP1
SCHEMBL893784 0.81 CYP3A4 (0.57) CYP3A4TDP1
SCHEMBL19286627 0.81 CYP3A4 (0.57) CYP3A4TDP1
SCHEMBL7021687 0.80 TDP1 (0.47) CYP3A4TDP1
SCHEMBL7021692 0.79 TDP1 (0.48) CYP3A4TDP1
SCHEMBL2919212 0.79 TDP1 (0.50) CYP3A4TDP1
SCHEMBL4253503 0.76 CYP3A4 (0.46) CYP3A4

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-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed