SCHEMBL29593585

SCHEMBL29593585

COc1c(C(C)C)cc2ccc3c(c(=O)c2c1O)C=CC(=O)C3(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ IDO1 P14902 5/20 0.36
▸ GAA P10253 2/20 0.32
▸ MGAM O43451 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ PTPN11 Q06124 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ SAE1 Q9UBE0 1/20 0.31

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
SCHEMBL29378942 0.69 — —
SCHEMBL30726721 0.69 — —
SCHEMBL30726769 0.67 — —
SCHEMBL30627438 0.62 — —
SCHEMBL30627437 0.62 — —
SCHEMBL30726736 0.60 — —
SCHEMBL30726743 0.56 CYP1A2 (0.31) —
SCHEMBL20780500 0.56 CA1 (0.39) MAPTBLM
SCHEMBL15557655 0.56 MAPT (1.00) MAPTIDO1GAAKDM1AKDM4E
SCHEMBL26707331 0.55 TDP1 (0.35) MAPTGAAKDM4EABL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023207921-A1 TAXAMAIRIN ANALOGS AND METHODS OF PREPARATION AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (CN) 2023-11-02 — — WO disclosed
CN-114591277-B 5/6/7/6 tetracyclic compound fused with benzene ring and synthetic method thereof 南京林业大学 2022-11-25 — — CN disclosed
CN-114591277-A 5/6/7/6 tetracyclic compound fused with benzene ring and synthesis method thereof 南京林业大学 2022-06-07 — — CN disclosed
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