SCHEMBL14700119

SCHEMBL14700119

CCCCOc1cc(O)c(C/C=C/c2ccc(O)c(OC)c2)c(OCCCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCE Q02156 2/20 0.51
▸ PRKCQ Q04759 2/20 0.51
▸ PRKCD Q05655 2/20 0.51
▸ NFE2L2 Q16236 2/20 0.49
▸ TTR P02766 1/20 0.47
▸ ALOX5 P09917 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ TYR P14679 2/20 0.45
▸ MAOA P21397 3/20 0.44
▸ ABCB1 P08183 3/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ APP P05067 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAOB P27338 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 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
SCHEMBL14700123 0.94 PRKCE (0.43) PRKCEPRKCQPRKCDNFE2L2TTR
SCHEMBL8247911 0.90 POLB (0.45) PRKCEPRKCQPRKCDMAPTAPP
SCHEMBL14700118 0.87 APP (0.40) PRKCEPRKCQPRKCDALOX5MAPT
SCHEMBL14686039 0.81 GSK3B (0.57) TTRALOX5MAPTAPPHPGD
SCHEMBL14686038 0.81 GSK3B (0.57) TTRALOX5MAPTAPPHPGD
SCHEMBL30383259 0.78 KDM4E (0.70) HTR1AMAPTAPPHPGDKDM4E
SCHEMBL13183882 0.78 KDM4E (0.70) HTR1AMAPTAPPHPGDKDM4E
SCHEMBL25203862 0.77 CYP1A1 (0.47) NFE2L2TTRMAPTAPPHPGD
SCHEMBL30382912 0.77 CYP1A1 (0.47) NFE2L2TTRMAPTAPPHPGD
SCHEMBL25759920 0.76 MAOB (0.50) PRKCEPRKCQPRKCDNFE2L2ALOX5

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
EP-2557079-A1 Synthesis of catechin and epicatechin conjugates Nestec S.A. (CH) 2013-02-13 — — EP disclosed
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