SCHEMBL10909990

SCHEMBL10909990

O=C1C[C@H]2[C@H](N3CCCC3)CC[C@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.37
▸ OPRD1 P41143 5/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10909994 1.00 PKM (0.37) PKMOPRD1ALDH1A1MEN1CYP2D6
SCHEMBL10910744 0.98 PKM (0.40) PKMOPRD1ALDH1A1MEN1CYP2D6
SCHEMBL10910747 0.98 PKM (0.40) PKMOPRD1ALDH1A1MEN1CYP2D6
SCHEMBL10909127 0.98 PKM (0.40) PKMOPRD1ALDH1A1MEN1CYP2D6
SCHEMBL10909123 0.98 PKM (0.40) PKMOPRD1ALDH1A1MEN1CYP2D6
SCHEMBL11080516 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL10909952 0.85 MCOLN2 (0.34) SMN1; SMN2
SCHEMBL10909948 0.85 MCOLN2 (0.34) SMN1; SMN2
SCHEMBL10908609 0.85 SMN1; SMN2 (0.35) OPRD1ALDH1A1SMN1; SMN2
SCHEMBL10908614 0.85 SMN1; SMN2 (0.35) OPRD1ALDH1A1SMN1; SMN2

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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