SCHEMBL7796595

SCHEMBL7796595

COc1c(C)c(C)c(O)c(C)c1C(O)CCc1c(O)cccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ IMPDH2 P12268 2/20 0.30
▸ IMPDH1 P20839 2/20 0.30

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
SCHEMBL7796094 0.89 CA1 (0.35) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL7792441 0.86 TRPA1 (0.33) CA1CA2ALDH1A1LMNAHPGD
SCHEMBL7786650 0.79 GAA (0.33) CA1CA2KDM4EALDH1A1MAPT
SCHEMBL8063169 0.78 TYR (0.50) TP53CYP3A4MAPTALOX15ALOX5
SCHEMBL7792520 0.77 CA1 (0.40) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL7786624 0.74 CA1 (0.40) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL8059449 0.68 TYR (0.50) TP53CYP3A4MAPTALOX15ALOX5
SCHEMBL10735633 0.66 PTAFR (0.39) ALDH1A1
SCHEMBL7795026 0.66 TRPA1 (0.40) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL22070808 0.65 CA12 (0.50) CA1CA2ALDH1A1MAPTHPGD

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
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
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