SCHEMBL28820116

SCHEMBL28820116

NCc1ccccc1F.O=C(O)N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
TRPC6 Q9Y210 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PARP10 Q53GL7 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL28020159 0.83 TYR (0.45) TYRTRPC6
Phenethylamine SCHEMBL28020211 0.83 TYR (0.50) TYR
SCHEMBL28019670 0.83 TYR (0.45) TYRTMEM97SIGMAR1
SCHEMBL1983988 0.82 TYR (0.44) TYRALDH1A1MGLL
SCHEMBL2478169 0.80 ADRB1 (0.45) ALDH1A1MAPK1
SCHEMBL25429337 0.77 SLC9A1 (0.40) PARP10MGLL
SCHEMBL27623434 0.74 NPC1 (0.44)
SCHEMBL2474344 0.74 GRIN1 (0.42) TYRALDH1A1MGLL
SCHEMBL2474460 0.74 MGLL (0.58) MGLL
SCHEMBL16564477 0.74 MAOB (0.40) TYRALDH1A1MAPK1

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
CN-104666299-A 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof GALDERMA RES & DEV 2015-06-03 CN disclosed