SCHEMBL13869475

SCHEMBL13869475

COC(=O)CCC(=O)Oc1ccc(/C=C/c2cc(C)cc(O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ PTGS2 P35354 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP1A1 P04798 2/20 0.48
▸ CYP1B1 Q16678 2/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ TTR P02766 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ ALB P02768 1/20 0.43

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
SCHEMBL14003975 0.90 KMT2A (0.48) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL17243734 0.88 BCL9 (0.46) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL13239069 0.86 HDAC8 (0.43) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL13345755 0.85 KMT2A (0.44) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL12061383 0.81 LMNA (0.53) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL18471992 0.80 LMNA (0.69) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL17243982 0.79 LMNA (0.54) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL28462762 0.79 ALB (0.62) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL18380781 0.79 ALB (0.62) KMT2AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL28469011 0.77 ESR1 (0.64) KMT2AMAPTLMNAHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521584-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-04-21 — — US disclosed
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