SCHEMBL6558542

SCHEMBL6558542

CCOC(=O)C1(c2ccccc2)CC(=O)C=CO1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.45
OPRD1 P41143 6/20 0.44
OPRK1 P41145 6/20 0.44
SLC22A1 O15245 2/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL980214 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6557276 0.75 ATM (0.38) OPRM1SMN1; SMN2ALDH1A1HTT
SCHEMBL7401517 0.72 OPRM1 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27282514 0.72 GLA (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7384877 0.71 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6558544 0.71 ATM (0.35) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11303680 0.70 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL25061461 0.69 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL25061458 0.69 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL987907 0.69 LMNA (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP disclosed