SCHEMBL10908609

SCHEMBL10908609

CC1CCN([C@@H]2CC[C@H]3OC(=O)C[C@@H]23)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ OPRD1 P41143 3/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL10908614 1.00 SMN1; SMN2 (0.35) SMN1; SMN2OPRD1ALDH1A1
SCHEMBL10909990 0.85 PKM (0.37) SMN1; SMN2OPRD1ALDH1A1
SCHEMBL10909994 0.85 PKM (0.37) SMN1; SMN2OPRD1ALDH1A1
SCHEMBL10909952 0.84 MCOLN2 (0.34) SMN1; SMN2
SCHEMBL10909948 0.84 MCOLN2 (0.34) SMN1; SMN2
SCHEMBL10909123 0.83 PKM (0.40) OPRD1ALDH1A1
SCHEMBL10910744 0.83 PKM (0.40) OPRD1ALDH1A1
SCHEMBL10910747 0.83 PKM (0.40) OPRD1ALDH1A1
SCHEMBL10909127 0.83 PKM (0.40) OPRD1ALDH1A1
SCHEMBL11080516 0.82 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1

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
US-4613597-A ANTICOAGULANTS, VASODILATORS, BRONCHODILATORS GLAXO GROUP LIMITED (GB) 1986-09-23 — — US disclosed
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