SCHEMBL28490646

SCHEMBL28490646

CC(C)(O)C(C)(C)O.Cn1nccc1OB(O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 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
SCHEMBL31237152 0.91 COMT (0.33) SSTR4
SCHEMBL18420206 0.81 SSTR4 (0.32) SSTR4
SCHEMBL38659956 0.74 SSTR4 (0.37) SSTR4
SCHEMBL20744353 0.73 COMT (0.32)
SCHEMBL20970327 0.70 SSTR4 (0.36) SSTR4
SCHEMBL1357600 0.68
SCHEMBL22581506 0.68 ALDH1A1 (0.36)
SCHEMBL19857578 0.67 COMT (0.35)
SCHEMBL28999416 0.67 CYP1A2 (0.33)
SCHEMBL26750109 0.66 SSTR4 (0.48) SSTR4

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
CN-110078708-B Smo/Bcr-Abl dual-targeting inhibitor and synthetic method and application thereof 东南大学 2020-12-11 CN disclosed