SCHEMBL28048346

SCHEMBL28048346

O=C(CO)OC1(c2ccccc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ OPRK1 P41145 3/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ DRD3 P35462 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ APOBEC3A P31941 2/20 0.41
▸ APOBEC3G Q9HC16 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ PRCP P42785 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL25348323 0.98 OPRM1 (0.45) OPRM1OPRD1OPRK1AKR1C1DRD3
SCHEMBL24944034 0.85 OPRM1 (0.48) OPRM1OPRD1OPRK1DRD3
SCHEMBL26939253 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1AKR1C1DRD3
SCHEMBL28391947 0.83 OPRM1 (0.44) OPRM1OPRD1OPRK1AKR1C1DRD3
SCHEMBL22790441 0.83 OPRM1 (0.60) OPRM1OPRD1OPRK1AKR1C1DRD3
SCHEMBL23637639 0.83 OPRM1 (0.44) OPRM1OPRD1OPRK1AKR1C1DRD3
SCHEMBL26939254 0.83 HDAC4 (0.45) OPRM1OPRD1OPRK1AKR1C1DRD3
SCHEMBL6036843 0.82 AKR1C1 (0.52) OPRM1OPRD1OPRK1AKR1C1SMN1; SMN2
SCHEMBL9191673 0.80 AKR1C1 (0.50) OPRM1AKR1C1SMN1; SMN2HDAC4MEN1
SCHEMBL9191670 0.80 AKR1C1 (0.50) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A

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-103284974-B Benzene ring nonyl ester double-layer osmotic pump controlled-release tablet and preparation method thereof WUHAN GENERAL HOSPITAL OF GUANGZHOU MILITARY COMMAND, PLA (CN) 2016-01-20 — — CN disclosed
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