SCHEMBL7238396

SCHEMBL7238396

N[C@@H](C(=O)O)C(c1ccccc1)C1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.52
SLC1A3 P43003 5/20 0.38
SLC1A2 P43004 5/20 0.38
SLC1A1 P43005 5/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 6/20 0.37
KYNU Q16719 1/20 0.36
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6594070 0.78 TYR (0.48) TYRLMNAKDM4E
SCHEMBL7245770 0.77 TYR (0.47) TYRMEN1KMT2A
SCHEMBL7261616 0.75 MEN1 (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7262096 0.75 MEN1 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6454550 0.75 TYR (0.47) TYRLMNAKDM4E
SCHEMBL6451064 0.75 TYR (0.47) TYRLMNAKDM4E
SCHEMBL6451059 0.75 TYR (0.47) TYRLMNAKDM4E
SCHEMBL2471893 0.73 TYR (0.49) TYR
SCHEMBL2477921 0.73 TYR (0.49) TYR
SCHEMBL2471896 0.73 TYR (0.49) TYR

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