SCHEMBL500330

SCHEMBL500330

COCCC1CN(CCC(=O)O)CCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
DRD4 P21917 12/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTR4 Q13639 1/20 0.35
PDK1 Q15118 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CACNA1H O95180 1/20 0.33
HTT P42858 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL499881 0.86 GLA (0.42) GLADRD4DRD2DRD3PDK1
SCHEMBL499961 0.82 GLA (0.45) GLADRD4DRD2DRD3TDP1
SCHEMBL500357 0.81 GLA (0.50) GLADRD4DRD3ALDH1A1CACNA1H
SCHEMBL27655758 0.80 DRD4 (0.37) DRD4DRD2DRD3PDK1CYP1A2
SCHEMBL500411 0.79 GLA (0.45) GLADRD4DRD2DRD3ALDH1A1
SCHEMBL20750562 0.78 DRD3 (0.43) GLADRD4DRD2DRD3CYP1A2
SCHEMBL4190132 0.77 GLA (0.41) GLADRD4DRD2DRD3PDK1
SCHEMBL18531912 0.75 CCR2 (0.40) GLADRD4DRD2DRD3PDK1
SCHEMBL16508846 0.75 DRD4 (0.38) DRD4DRD2DRD3PDK1
SCHEMBL499919 0.74 GLA (0.46) GLADRD4DRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed