SCHEMBL9637162

SCHEMBL9637162

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9637556 0.88 CYP2D6 (0.39) NAAACYP2D6
SCHEMBL26605048 0.75 POLB (0.36) NAAACYP2D6
SCHEMBL9431855 0.75 CYP2D6 (0.39) NAAACYP2D6
SCHEMBL9432777 0.70 NAAA (0.57) NAAA
SCHEMBL9663977 0.70 FUCA1 (0.44) NAAA
SCHEMBL9636123 0.69 POLB (0.31)
SCHEMBL9665014 0.69 POLB (0.31)
Hydrochloric Acid SCHEMBL9665881 0.69 FUCA1 (0.43) NAAA
Hydrochloric Acid SCHEMBL9431771 0.68 POLB (0.30)
SCHEMBL8915156 0.65 POLB (0.33) 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