SCHEMBL2586853

SCHEMBL2586853

CC(=O)Oc1cc(CCCCCCCC=O)cc(OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ ALOX5 P09917 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARA Q07869 4/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ FUT7 Q11130 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ CBS P35520 1/20 0.37
▸ CA1 P00915 1/20 0.36

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
SCHEMBL26430138 0.84 PPARA (0.56) ALOX5PPARACNR1CNR2FUT7
SCHEMBL26430149 0.81 PPARA (0.48) CYP4F2CYP4A11ALOX5PPARACNR1
SCHEMBL10183039 0.81 CYP4F2 (0.58) CYP4F2CYP4A11ALOX5KDM4EMEN1
SCHEMBL26430147 0.80 EP300 (0.45) CYP4F2CYP4A11ALOX5PPARACNR1
SCHEMBL462587 0.80 ALOX5 (0.57) CYP4F2CYP4A11ALOX5CYP3A4PPARA
SCHEMBL3247915 0.78 THRB (0.49) KDM4EMEN1LMNATTRTP53
SCHEMBL23221337 0.77 LMNA (0.46) ALOX5KDM4EMEN1LMNATTR
SCHEMBL1379954 0.74 CYP4F2 (0.56) CYP4F2CYP4A11ALOX5KDM4EMEN1
SCHEMBL718523 0.73 MAPT (0.56) CYP4F2CYP4A11KDM4EMEN1LMNA
SCHEMBL1382107 0.73 CYP4F2 (0.50) CYP4F2CYP4A11ALOX5KDM4EMEN1

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-2566596-A2 FRACTIONATION OF CASHEW NUT SHELL LIQUID Bangor University (GB) 2013-03-13 — — EP disclosed
WO-2011138608-A2 FRACTIONATION OF CASHEW NUT SHELL LIQUID BANGOR UNIVERSITY (GB) 2011-11-10 — — WO disclosed
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