SCHEMBL28847467

SCHEMBL28847467

OC(=Cc1ccc(O)cc1O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.56
CHRNA7 P36544 4/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 4/20 0.46
USP2 O75604 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX5 P09917 2/20 0.44
SYNJ2 O15056 1/20 0.43
TTR P02766 1/20 0.43
CYP1A1 P04798 1/20 0.43

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
SCHEMBL28117631 0.79 MAPT (0.50) MEN1KMT2AGAANFE2L2MAPT
SCHEMBL1821399 0.78 GAA (0.54) TYRCHRNA7MEN1KMT2AGAA
SCHEMBL8474929 0.72 ALOX5 (0.52) TYRCHRNA7MEN1KMT2AGAA
SCHEMBL21446825 0.72 TYR (1.00) TYRCHRNA7KMT2AGAAMGAM
SCHEMBL3995353 0.72 TYR (1.00) TYRCHRNA7KMT2AGAAMGAM
SCHEMBL7925073 0.72 TYR (1.00) TYRCHRNA7KMT2AGAAMGAM
SCHEMBL9950184 0.71 ESR1 (0.57) MEN1KMT2AMAPTNPC1HTT
SCHEMBL11359639 0.71 TYR (0.48) TYRCHRNA7MEN1KMT2AGAA
SCHEMBL11334099 0.71 TYR (0.48) TYRCHRNA7MEN1KMT2AGAA
SCHEMBL11334104 0.71 TYR (0.48) TYRCHRNA7MEN1KMT2AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999380-A Hair deforming agent 花王株式会社 2017-08-01 CN disclosed
CN-106999382-A Hair deformation process agent 花王株式会社 2017-08-01 CN disclosed