SCHEMBL7564702

SCHEMBL7564702

O=C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C(O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CHRM3 P20309 6/20 0.46
CHRM2 P08172 5/20 0.46
CHRM1 P11229 2/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
CHRM4 P08173 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28230035 0.78 CHRM3 (0.54) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL11222109 0.77 CYP1A2 (0.47) PPARGPPARACYP1A2
Benzylic Acid SCHEMBL7564698 0.76 CYP2C9 (0.49) PPARGPPARAKDM4ELMNAMAPK1
SCHEMBL7559902 0.76 LMNA (0.46) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL11878020 0.76 CHRM3 (0.49) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL28230064 0.76 ALDH1A1 (0.52) ALDH1A1POLBPPARGPPARACYP1A2
SCHEMBL6182569 0.74 CYP1A2 (0.47) PPARGPPARACYP1A2
SCHEMBL19795773 0.74 KMT2A (0.59) MEN1KMT2AGAACHRM3CHRM2
SCHEMBL2336410 0.72 SRR (0.55) CYP1A2
SCHEMBL14543781 0.72 CYP1A2 (0.48) ALDH1A1CYP1A2NPSR1

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
WO-2002067890-A2 METHOD AND PRODUCT FOR SKIN LIGHTENING UNILEVER PLC (GB) 2002-09-06 WO disclosed