SCHEMBL28033357

SCHEMBL28033357

O=C(O)COC1(c2ccccc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
DRD3 P35462 1/20 0.46
HDAC4 P56524 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3631858 0.83 MAPK1 (0.46) DRD3KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL4910469 0.79 HTR2A (0.45) AKR1C1ALOX15
SCHEMBL26939254 0.78 HDAC4 (0.45) AKR1C1DRD3HDAC4MEN1KMT2A
SCHEMBL15043695 0.78 OPRM1 (0.58) DRD3
SCHEMBL9191670 0.78 AKR1C1 (0.50) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL9191673 0.78 AKR1C1 (0.50) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL23747061 0.77 DRD3 (0.48) AKR1C1DRD3
SCHEMBL791817 0.76 SLC6A4 (0.47) AKR1C1
SCHEMBL25348323 0.76 OPRM1 (0.45) AKR1C1DRD3HDAC4MEN1KMT2A
SCHEMBL26939253 0.76 OPRM1 (0.45) AKR1C1DRD3HDAC4MEN1KMT2A

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-104955444-A Methods and compositions for administering oxybutynin MICRODOSE THERAPEUTX INC 2015-09-30 CN disclosed