SCHEMBL31017612

SCHEMBL31017612

OC[C@H]1OC(N2CCNC2)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 8/20 0.58
▸ MAPT P10636 1/20 0.39
▸ SLC28A1 O00337 1/20 0.38
▸ SLC28A2 O43868 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38
▸ SLC28A3 Q9HAS3 1/20 0.38
▸ PYGM P11217 3/20 0.36

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
SCHEMBL19856460 0.88 CDA (0.60) CDAMAPTPYGM
SCHEMBL18851813 0.88 CDA (0.60) CDAMAPTPYGM
SCHEMBL19856471 0.88 CDA (0.60) CDAMAPTPYGM
SCHEMBL11707269 0.78 CDA (0.55) CDAMAPT
SCHEMBL11433490 0.74 CDA (0.55) CDAMAPT
SCHEMBL15297983 0.74 CDA (0.55) CDAMAPT
SCHEMBL11114311 0.68 CDA (0.46) CDA
SCHEMBL11756110 0.68 CDA (0.94) CDAMAPTSLC28A1SLC28A2SLC29A1
SCHEMBL11755145 0.68 CDA (0.94) CDAMAPTSLC28A1SLC28A2SLC29A1
SCHEMBL24115372 0.63 LGALS1 (0.59) —

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-118435054-A Compositions and methods for diagnosing and treating chronic kidney disease 雀巢产品有限公司 2024-08-02 — — CN disclosed
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