SCHEMBL9637556

SCHEMBL9637556

COC(=O)N[C@H]1[C@H](C(=O)OC)[C@@H](C)OC(=O)[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
NAAA Q02083 1/20 0.34

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
SCHEMBL9637162 0.88 NAAA (0.34) CYP2D6NAAA
SCHEMBL9431855 0.88 CYP2D6 (0.39) CYP2D6NAAA
SCHEMBL5346846 0.73 CYP2D6 (0.44) CYP2D6NAAA
SCHEMBL9432777 0.73 NAAA (0.57) NAAA
SCHEMBL8914558 0.71 CYP2D6 (0.40) CYP2D6NAAA
Hydrochloric Acid SCHEMBL8916228 0.70 CYP2D6 (0.42) CYP2D6NAAA
Hydrochloric Acid SCHEMBL8917378 0.70 CYP2D6 (0.42) CYP2D6NAAA
Hydrochloric Acid SCHEMBL8918371 0.70 CYP2D6 (0.42) CYP2D6NAAA
SCHEMBL7403560 0.62 PYGB (0.38) NAAA
SCHEMBL9431869 0.61 CYP2D6 (0.38) CYP2D6

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-0260092-B1 OPTICALLY ACTIVE BETA-AMINO ACID DERIVATIVES AND THEIR SALTS, AND PROCESSES FOR PRODUCING THE SAME Hatanaka,Minoru (JP) 1992-07-29 EP claimed