SCHEMBL11313256

SCHEMBL11313256

CCCCCCCCC/C=C\C=C/C=C/C=C\C=C\C(=O)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.45
▸ CNR2 P34972 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ FASN P49327 1/20 0.41
▸ ZDHHC2 Q9UIJ5 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL11482183 1.00 CNR1 (0.45) CNR1CNR2KDM4EFASNZDHHC2
SCHEMBL11325175 0.86 CNR1 (0.45) CNR1CNR2KDM4EFASNZDHHC2
SCHEMBL11491821 0.86 CNR1 (0.45) CNR1CNR2KDM4EFASNZDHHC2
SCHEMBL11483550 0.84 ZDHHC2 (0.56) CNR1CNR2KDM4EFASNZDHHC2
SCHEMBL11483113 0.84 ZDHHC2 (0.56) CNR1CNR2KDM4EFASNZDHHC2
SCHEMBL11491365 0.84 ZDHHC2 (0.56) CNR1CNR2KDM4EFASNZDHHC2
SCHEMBL11490490 0.82 CNR1 (0.38) CNR1CNR2FASNSMN1; SMN2HDAC3
SCHEMBL7778091 0.81 MGLL (0.55) CNR1CNR2KDM4EFASNSMN1; SMN2
SCHEMBL7778092 0.81 MGLL (0.55) CNR1CNR2KDM4EFASNSMN1; SMN2
SCHEMBL11492420 0.80 CNR1 (0.43) CNR1CNR2KDM4EFASNZDHHC2

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
US-4264517-A Alkylphenyl 5Z,8Z,11Z,14Z,17Z-eicosapentaenoates G.D. SEARLE & CO. (US) 1981-04-28 — — US claimed
US-4264517-A Alkylphenyl 5Z,8Z,11Z,14Z,17Z-eicosapentaenoates G.D. SEARLE & CO. (US) 1981-04-28 — — US disclosed
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