SCHEMBL28548385

SCHEMBL28548385

COC(=O)C=Cc1ccc(O)c(OCC#N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.67
▸ APP P05067 3/20 0.59
▸ TTR P02766 1/20 0.59
▸ PTPN1 P18031 1/20 0.57
▸ ALDH1A1 P00352 10/20 0.57
▸ MAPT P10636 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TOP2A P11388 2/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ HPGD P15428 4/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ MAOB P27338 3/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ ALOX5 P09917 2/20 0.56
▸ GAA P10253 2/20 0.56

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
SCHEMBL28560586 0.85 KDM4E (0.61) APPTTRPTPN1ALDH1A1MAPT
SCHEMBL7245926 0.84 TOP2A (0.79) EPHX2APPTTRPTPN1ALDH1A1
SCHEMBL29681816 0.84 TOP2A (0.79) EPHX2APPTTRPTPN1ALDH1A1
SCHEMBL7245921 0.84 TOP2A (0.79) EPHX2APPTTRPTPN1ALDH1A1
SCHEMBL7247036 0.82 EPHX2 (0.70) EPHX2APPTTRPTPN1ALDH1A1
SCHEMBL7247037 0.82 EPHX2 (0.70) EPHX2APPTTRPTPN1ALDH1A1
Methyl Cis-Ferulate SCHEMBL2085720 0.81 EPHX2 (1.00) EPHX2APPTTRPTPN1ALDH1A1
Methyl Cis-Ferulate SCHEMBL29406729 0.81 EPHX2 (1.00) EPHX2APPTTRPTPN1ALDH1A1
Methyl Cis-Ferulate SCHEMBL510492 0.81 EPHX2 (1.00) EPHX2APPTTRPTPN1ALDH1A1
Methyl Cis-Ferulate SCHEMBL30211782 0.79 EPHX2 (0.97) EPHX2APPTTRPTPN1ALDH1A1

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
CN-109678923-B Tripterine (iso) ferulic acid ester derivative and preparation method and application thereof 中国药科大学 2021-04-27 — — CN disclosed
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