SCHEMBL7792878

SCHEMBL7792878

CCOc1c(C)c(C)c(OCc2ccccc2)c(C(=O)C=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
PTGER3 P43115 3/20 0.45
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER2 P43116 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PTGDR Q13258 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL7796628 0.96 HDAC8 (0.56) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7792951 0.91 HDAC8 (0.59) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7786615 0.91 HDAC8 (0.59) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7792876 0.81 APP (0.48) HDAC8SLC5A1SLC5A2MEN1KMT2A
SCHEMBL7907911 0.80 HDAC8 (0.68) HDAC8PTGER3PTGER1PTGER4PTGER2
SCHEMBL433576 0.80 HDAC8 (0.68) HDAC8PTGER3PTGER1PTGER4PTGER2
SCHEMBL20169835 0.79 SLC5A1 (0.53) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7751091 0.79 HDAC8 (0.62) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7751094 0.79 HDAC8 (0.62) HDAC8SLC5A1SLC5A2PTGER3PTGER1
SCHEMBL7792475 0.78 HDAC8 (0.44) HDAC8SLC5A1SLC5A2PTGER3PTGER1

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