SCHEMBL11080516

SCHEMBL11080516

O=C1C[C@H]2[C@H](N3CCOCC3)CC[C@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 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
SCHEMBL10909990 0.86 PKM (0.37) ALDH1A1SMN1; SMN2
SCHEMBL10909994 0.86 PKM (0.37) ALDH1A1SMN1; SMN2
SCHEMBL10909123 0.85 PKM (0.40) ALDH1A1HSD17B10
SCHEMBL10909127 0.85 PKM (0.40) ALDH1A1HSD17B10
SCHEMBL10910747 0.85 PKM (0.40) ALDH1A1HSD17B10
SCHEMBL10908609 0.82 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL10908614 0.82 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL11036809 0.70 CYP2A13 (0.35) PDE4D
SCHEMBL11036807 0.70 CYP2A13 (0.35) PDE4D
SCHEMBL11082314 0.70 CYP2A13 (0.35) PDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447428-A BRONCHODILATOR, ANTICOAGULANTS GLAXO GROUP LIMITED (GB) 1984-05-08 — — US disclosed
US-4409213-A B-SIDE CHAIN ATTACHED THRU AMINO GROUP; BRONCHODILATORS, ANTICOAGUANT GLAXO GROUP LIMITED (GB) 1983-10-11 — — US disclosed
US-4265891-A PROSTAGLANDINS, BRONCHODILATORS, PLATELET AGGREGATION INHIBITORS GLAXO GROUP LIMITED (GB) 1981-05-05 — — US disclosed
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