SCHEMBL500357

SCHEMBL500357

CCC1CN(CCC(=O)O)CCO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
DRD3 P35462 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CACNA1H O95180 1/20 0.36
GRM2 Q14416 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
DRD4 P21917 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 2/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL13229803 0.91 GLA (0.44) GLASMN1; SMN2OPRM1OPRD1DRD4
SCHEMBL499961 0.85 GLA (0.45) GLADRD3DRD4KMT2AALDH1A1
SCHEMBL6966556 0.83 HSD17B10 (0.47) GLADRD3GRM2DRD4HSD17B10
SCHEMBL20750562 0.81 DRD3 (0.43) GLADRD3DRD4
SCHEMBL500330 0.81 GLA (0.44) GLADRD3CACNA1HDRD4ALDH1A1
SCHEMBL499919 0.80 GLA (0.46) GLADRD3SMN1; SMN2CACNA1HOPRM1
SCHEMBL500093 0.80 GLA (0.53) GLADRD3SMN1; SMN2OPRM1OPRD1
SCHEMBL6064721 0.80 KDM4E (0.42) DRD3CACNA1HGRM2DRD4ALDH1A1
SCHEMBL25565642 0.79 DRD3 (0.51) DRD3DRD4
SCHEMBL25565643 0.79 DRD3 (0.51) DRD3DRD4

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