SCHEMBL28425829

SCHEMBL28425829

CC(c1cc(O)cc(O)c1)c1ccc(O)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.70
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ESR1 P03372 1/20 0.41
PDCD1 Q15116 1/20 0.41
ESR2 Q92731 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL28430447 0.86 TYR (0.79) TYRMGAMGAASIMGAM2
SCHEMBL51618 0.85 TYR (0.70) TYRESR1PDCD1ESR2CD274
SCHEMBL28311703 0.85 TYR (0.66) TYRMGAMGAASIMGAM2
SCHEMBL369337 0.82 TYR (1.00) TYRMGAMGAASIMGAM2
SCHEMBL29394395 0.82 TYR (1.00) TYRMGAMGAASIMGAM2
SCHEMBL18815425 0.82 TYR (1.00) TYRMGAMGAASIMGAM2
Resorcinol SCHEMBL23922713 0.82 TYR (0.90) TYRMGAMGAASIMGAM2
SCHEMBL29492458 0.81 TYR (0.71) TYRMGAMGAASIMGAM2
SCHEMBL21830516 0.81 TYR (0.71) TYRMGAMGAASIMGAM2
SCHEMBL28432927 0.80 TYR (0.55) TYRMGAMGAASIMGAM2

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-106999382-B Hair deforming agent 花王株式会社 2020-07-10 CN disclosed