SCHEMBL20145103

SCHEMBL20145103

C[C@@H](CN)C[C@H](C)O[C@H](C)CN

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL6840071 0.83
SCHEMBL14551499 0.76
SCHEMBL24115305 0.75 OPRM1 (0.39) ALDH1A1
SCHEMBL2486901 0.73
SCHEMBL19509662 0.72
SCHEMBL9886695 0.71 ALDH1A1 (0.39) MAPK1ALDH1A1
SCHEMBL18496313 0.71
SCHEMBL4288199 0.71
SCHEMBL11332093 0.70 ALDH1A1 (0.44) MAPK1ALDH1A1GABBR2GABBR1
Hydrochloric Acid SCHEMBL18496360 0.69

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-2646410-B1 NOVEL AGENTS FOR REWORKABLE EPOXY RESINS CONNORA TECH INC (US) 2018-05-16 EP disclosed