SCHEMBL7758708

SCHEMBL7758708

O=Cc1c(O)cc(O)cc1C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
GAA P10253 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH1 P35367 1/20 0.50
HTT P42858 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL4594882 0.79 AKR1C3 (0.50) MEN1GAAKMT2AUSP2KEAP1
SCHEMBL8861243 0.79 MEN1 (0.70) MEN1GAAKMT2AUSP2KEAP1
SCHEMBL11152281 0.75 CYP3A4 (0.51) MEN1GAAKMT2AUSP2KEAP1
SCHEMBL9222898 0.75 AKR1C3 (0.44) MEN1GAAKMT2AUSP2KEAP1
SCHEMBL353943 0.74 FASN (0.64) MEN1GAAKMT2AUSP2KEAP1
SCHEMBL5692519 0.73 ESR1 (0.54) MEN1GAAKMT2AUSP2LMNA
2,4-Dihydroxybenzophenone SCHEMBL1699129 0.73 MEN1 (1.00) MEN1GAAKMT2AUSP2KEAP1
2,4-Dihydroxybenzophenone SCHEMBL30201813 0.73 MEN1 (1.00) MEN1GAAKMT2AUSP2KEAP1
2,4-Dihydroxybenzophenone SCHEMBL29351647 0.73 MEN1 (1.00) MEN1GAAKMT2AUSP2KEAP1
SCHEMBL2868140 0.73 MEN1 (0.72) MEN1GAAKMT2AUSP2KEAP1

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
US-6241785-B1 HOIR DYES L'OREAL (FR) 2001-06-05 US disclosed
EP-0949897-B1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM OREAL (FR) 2001-05-23 EP disclosed
EP-0949897-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1999-10-20 EP disclosed
WO-1998027940-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1998-07-02 WO disclosed