SCHEMBL7796628

SCHEMBL7796628

Cc1c(C)c(OCc2ccccc2)c(C(=O)C=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
PTGER3 P43115 4/20 0.48
PTGER1 P34995 3/20 0.48
PTGER4 P35408 3/20 0.48
PTGER2 P43116 3/20 0.48
PTGDR Q13258 1/20 0.46
PTPN1 P18031 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
APP P05067 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45

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
SCHEMBL7792878 0.96 HDAC8 (0.53) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7786615 0.95 HDAC8 (0.59) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7792951 0.95 HDAC8 (0.59) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL20169835 0.82 SLC5A1 (0.53) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7751091 0.82 HDAC8 (0.62) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7751094 0.82 HDAC8 (0.62) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7792475 0.81 HDAC8 (0.44) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL3046006 0.81 ABCG2 (0.64) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL13029337 0.81 ABCG2 (0.64) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7909151 0.80 PTGER3 (0.68) HDAC8PTGER3PTGER1PTGER4PTGER2

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
EP-0909267-B1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2001-11-21 EP disclosed
US-6093836-A INHIBITORY ACTIVITY AGAINT MELANIN BIOSYNTHESIS; WHITENING SUBSTANCES FOR MEDICAMENTS, COSMETICS LG CHEMICAL LTD. (KR) 2000-07-25 US disclosed