SCHEMBL21668254

SCHEMBL21668254

COc1c(OCC2CCCN(c3ccc(-c4cc(=O)c5ccc(O)c(O)c5o4)cc3)C2)ccc2c(=O)cc(-c3ccc(N4CCCCC4)cc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP8 P40818 8/20 0.51
▸ TERT O14746 7/20 0.49
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL21647176 0.81 USP8 (0.72) USP8TERTCYP3A4CYP2C19CYP1A2
SCHEMBL21647149 0.80 CYP3A4 (0.63) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL21647173 0.79 TERT (0.66) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL21647164 0.77 TERT (0.57) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL21647138 0.77 TERT (0.57) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL21647177 0.75 TERT (0.55) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL21647151 0.73 TERT (0.57) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL22772266 0.73 TERT (0.62) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL22789421 0.72 TERT (0.66) USP8TERTCYP3A4CYP2C19ALDH1A1
SCHEMBL23473437 0.72 USP8 (0.58) USP8TERTCYP3A4CYP2C19CYP1A2

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
WO-2020024977-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF 陕西麦科奥特科技有限公司 2020-02-06 — — WO disclosed
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