SCHEMBL7245757

SCHEMBL7245757

O=C(O)N(Cc1ccccc1)C1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.54
PDK1 Q15118 2/20 0.43
OPRM1 P35372 6/20 0.42
DCUN1D1 Q96GG9 3/20 0.41
UBE2M P61081 2/20 0.41
AGER Q15109 3/20 0.41
MTNR1A P48039 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRD1 P41143 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
SCHEMBL7245773 1.00 TYR (0.54) TYRPDK1OPRM1DCUN1D1UBE2M
SCHEMBL6806765 0.89 OPRM1 (0.56) TYROPRM1DCUN1D1UBE2M
SCHEMBL6804847 0.89 OPRM1 (0.56) TYROPRM1DCUN1D1UBE2M
SCHEMBL6810113 0.86 TYR (0.47) TYRPDK1DCUN1D1UBE2M
SCHEMBL6810116 0.86 TYR (0.47) TYRPDK1DCUN1D1UBE2M
SCHEMBL4799331 0.81 AGER (0.44) OPRM1DCUN1D1UBE2MAGERMTNR1A
SCHEMBL4799335 0.81 AGER (0.44) OPRM1DCUN1D1UBE2MAGERMTNR1A
SCHEMBL3370759 0.80 AGER (0.55) OPRM1DCUN1D1AGERMTNR1ACHRM2
SCHEMBL5619797 0.79 TYR (0.47) TYRPDK1OPRM1CHRM2CHRM3
SCHEMBL5619802 0.79 TYR (0.47) TYRPDK1OPRM1CHRM2CHRM3

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
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US disclosed