SCHEMBL21647177

SCHEMBL21647177

CCCC1CCN(c2ccc(-c3cc(=O)c4ccc(O)c(O)c4o3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 11/20 0.55
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ BRD4 O60885 1/20 0.52
▸ IKBKB O14920 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ NTRK2 Q16620 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ USP8 P40818 5/20 0.48

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
SCHEMBL21647164 0.92 TERT (0.57) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL22772252 0.90 TERT (0.42) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647138 0.84 TERT (0.57) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647151 0.84 TERT (0.57) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21668591 0.83 CDK2 (0.40) TERTKDM4EMAPTRECQL
SCHEMBL22789421 0.82 TERT (0.66) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647173 0.82 TERT (0.66) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647175 0.80 TERT (0.60) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21668613 0.80 TERT (0.63) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL22772266 0.79 TERT (0.62) TERTKDM4EALDH1A1CYP3A4MAPT

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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