SCHEMBL9160971

SCHEMBL9160971

COc1cc(O)c[c]c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.45
ALOX5 P09917 5/20 0.42
PTGS2 P35354 5/20 0.42
APP P05067 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A1 P04798 1/20 0.33
PTGS1 P23219 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL1639475 0.80 ERN1 (0.43) CYP3A4MAPTMAOBMAPK1LMNA
SCHEMBL10689989 0.80 ACHE (0.43) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL2164186 0.80 CA12 (0.41) CYP3A4MAPTMAOBCA1CA2
SCHEMBL27949662 0.80 CYP3A4 (0.46) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL3594844 0.78 ERN1 (0.42) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL4406700 0.78 CYP3A4 (0.45) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL5658885 0.78 MAPT (0.35) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL3921146 0.77 TSHR (0.36) CYP3A4MAPTESR1ESR2TDP1
SCHEMBL4438220 0.75 LMNA (0.60) CYP3A4MAPTPTGS2CA1CA2
SCHEMBL11606239 0.75 TNKS2 (0.40) CYP3A4ALOX5PTGS2TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526302-B1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica OREAL (FR) 1995-03-01 EP claimed
EP-0526302-A1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica L'OREAL (FR) 1993-02-03 EP claimed
EP-0526302-B1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica OREAL (FR) 1995-03-01 EP disclosed
EP-0526302-A1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica L'OREAL (FR) 1993-02-03 EP disclosed