SCHEMBL9320935

SCHEMBL9320935

CCOC(=O)/C(C)=C/CC/C(C)=C/COC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
NFE2L2 Q16236 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
TRPA1 O75762 1/20 0.34
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL11044385 0.86 ALDH1A1 (0.38) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL11042524 0.85 FNTA (0.39) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL11043412 0.85 FNTA (0.39) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL11045633 0.85 FNTA (0.39) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL11041963 0.85 FNTA (0.39) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL7686021 0.84 NFE2L2 (0.43) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL7686022 0.84 NFE2L2 (0.43) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL10000055 0.83 NFE2L2 (0.44) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL11043985 0.81 KMT2A (0.45) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4
SCHEMBL10565035 0.81 KMT2A (0.45) ALDH1A1ALOX15NFE2L2CYP2D6CYP3A4

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-5348974-A Tocotrienols in the treatment of hypercholesterolemia, hyperlipidemia and thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 1994-09-20 US disclosed
US-5217992-A Administering mixtures of tocotrienols to reduce serum cholesterol levels BRISTOL-MYERS SQUIBB COMPANY (US) 1993-06-08 US disclosed
EP-0421419-A2 Tocotrienols in the treatment of hypercholesterolemia, hyperlipidemia and thromboembolic disorders Bristol-Myers Squibb Company (US) 1991-04-10 EP disclosed