SCHEMBL13345755

SCHEMBL13345755

Cc1cc(O)cc(/C=C/c2ccc(OC(=O)CCC(C)(C)C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TTR P02766 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS2 P35354 3/20 0.42
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ ALB P02768 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ MIF P14174 1/20 0.39

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
SCHEMBL13239069 0.86 HDAC8 (0.43) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL17243734 0.86 BCL9 (0.46) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL14003975 0.85 KMT2A (0.48) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL13869475 0.85 KMT2A (0.58) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL18471992 0.78 LMNA (0.69) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL13712288 0.78 PTGS2 (0.49) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL13240429 0.78 KMT2A (0.55) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL8678592 0.78 KMT2A (0.52) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL17243982 0.77 LMNA (0.54) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL12061383 0.76 LMNA (0.53) KMT2AMAPTMEN1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 — — US disclosed
US-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 — — US disclosed
US-7317008-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMACEUTICALS, INC. (US) 2008-01-08 — — US disclosed
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