SCHEMBL28020159

SCHEMBL28020159

NCc1ccc(F)cc1.O=C(O)N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
SLC9A1 P19634 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL28019670 0.90 TYR (0.45) TYR
SCHEMBL1983988 0.85 TYR (0.44) TYRSLC9A1CYP3A4CYP2C9
SCHEMBL28820116 0.83 TYR (0.43) TYRTRPC6
SCHEMBL27623434 0.82 NPC1 (0.44) GRM5SLC9A1CYP3A4CYP2C9CYP2C19
Phenethylamine SCHEMBL28020211 0.81 TYR (0.50) TYR
SCHEMBL2474909 0.81 ALDH1A1 (0.56) SMN1; SMN2
SCHEMBL25429337 0.77 SLC9A1 (0.40) SLC9A1
SCHEMBL2474344 0.77 GRIN1 (0.42) TYRSMN1; SMN2
SCHEMBL13504462 0.77 KCNH2 (0.43) TYRSLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL13504458 0.77 KCNH2 (0.43) TYRSLC9A1CYP3A4CYP2C9CYP2C19

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