SCHEMBL4869166

SCHEMBL4869166

CCCCC(C=Nc1ccc(CCCC)c(CCCC)c1)=Nc1ccc(CCCC)c(CCCC)c1.CCCCCCCCNc1ccc(CCCC)c2cc(O)c(O)cc12.[Pd]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL5920313 0.99 CYP3A4 (0.31) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL5677611 0.84 TYR (0.34) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL4869325 0.84 TYR (0.33) TYR
SCHEMBL4866830 0.83 PLK1 (0.31) —
SCHEMBL5920141 0.82 PLK1 (0.31) —
SCHEMBL5677377 0.81 CYP3A4 (0.37) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL5677386 0.81 CYP3A4 (0.37) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL5919951 0.81 CYP2C9 (0.38) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL5682003 0.81 CYP2C9 (0.38) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL5921365 0.80 CYP3A4 (0.38) MEN1TP53CYP3A4ALOX5MAPT

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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