SCHEMBL28378307

SCHEMBL28378307

O=C(O)c1cccc(Oc2ccccc2)c1Oc1ccccc1.[KH].[KH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 2/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44

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
SCHEMBL1401811 0.98 CTNNB1 (0.58) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL8031428 0.87 ALDH1A1 (0.54) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL10908119 0.86 KDM4E (0.56) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL29022756 0.84 CTNNB1 (0.54) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL9244300 0.84 CTNNB1 (0.54) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL12971530 0.83 MAPK1 (0.73) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL12971532 0.83 MAPK1 (0.73) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL466195 0.83 CTNNB1 (0.53) CTNNB1SMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL29514788 0.83 CTNNB1 (0.53) CTNNB1SMN1; SMN2ALDH1A1MAPK1POLB
Potassium Ion SCHEMBL28378306 0.83 CTNNB1 (0.53) CTNNB1SMN1; SMN2ALDH1A1MAPK1HTT

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-110960437-A Dandruff-removing hair washing bubbles and preparation method thereof 威莱(广州)日用品有限公司 2020-04-07 CN disclosed