SCHEMBL4860792

SCHEMBL4860792

CCCCCCC(=Nc1ccc(CCCC)c(CCCC)c1)C(CC)=Nc1ccc(CCCC)c(CCCC)c1.CCCCCCc1ccc2cc(O)c(O)cc2c1CCCCC.[Ni]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PRSS1 P07477 1/20 0.33
▸ ACR P10323 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 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
SCHEMBL5676608 0.99 TYR (0.38) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL4860633 0.87 TYR (0.38) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL4861242 0.86 TYR (0.38) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL5920813 0.86 TYR (0.39) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL5921188 0.85 TYR (0.38) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL5919752 0.84 ALOX5 (0.39) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL5677173 0.84 ALOX5 (0.39) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL5921019 0.84 TYR (0.37) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL5676613 0.84 ALOX5 (0.39) TYRCYP3A4MAPTALOX5MEN1
SCHEMBL5919751 0.83 PRSS1 (0.31) TYRCYP3A4MAPTALOX5MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429548-B2 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-09-30 — — US disclosed
US-7067450-B2 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-27 — — US disclosed
US-20040044150-A1 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. 2004-03-04 — — US disclosed
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