SCHEMBL8386674

SCHEMBL8386674

CCOc1c(C)c(C)c(O)c(C(C(C)=O)c2ccc(O)cc2O)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL8386678 0.88 GAA (0.35) CA12CA1CA2CA7CA9
SCHEMBL8385360 0.80 GAA (0.35) CA12CA1CA2CA7CA9
SCHEMBL7786443 0.68 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL16836085 0.68 TYR (0.46) CA12CA1CA2CA7CA9
SCHEMBL8385341 0.68 PDE4D (0.40) KMT2AMEN1LMNA
SCHEMBL7786446 0.68 SLC5A1 (0.45) —
SCHEMBL490708 0.66 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL3411737 0.65 HSD17B1 (0.40) KMT2AMEN1
SCHEMBL25326777 0.65 KDM4E (0.33) HSD17B10GAA
SCHEMBL3662601 0.64 CES2 (0.41) CA12CA1CA2CA7CA9

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-A1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 1999-04-21 — — EP disclosed
WO-1998039279-A1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1998-09-11 — — WO disclosed
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