SCHEMBL29359667

SCHEMBL29359667

COc1cc(O)cc2c1C(=O)c1c(O)cc(C)c(O)c1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ USP2 O75604 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ ELANE P08246 5/20 0.51
▸ PARP1 P09874 3/20 0.48
▸ PTPN1 P18031 3/20 0.48
▸ EPHX2 P34913 4/20 0.48
▸ PIM1 P11309 3/20 0.48
▸ EGFR P00533 2/20 0.46
▸ ESR1 P03372 2/20 0.45
▸ ESR2 Q92731 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL16226946 1.00 MAPT (0.60) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL29359531 1.00 MAPT (0.60) MAPTMEN1KMT2AKDM4EUSP2
Catenarin SCHEMBL29359362 0.85 MEN1 (0.72) MAPTMEN1KMT2AKDM4EUSP2
Catenarin SCHEMBL9175437 0.85 MEN1 (0.72) MAPTMEN1KMT2AKDM4EUSP2
Parietin SCHEMBL29356669 0.82 MAPT (0.66) MAPTMEN1KMT2AKDM4EUSP2
Parietin SCHEMBL16226462 0.82 MAPT (0.66) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL23198983 0.82 EGFR (0.71) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL23199004 0.82 EGFR (0.71) MAPTMEN1KMT2AKDM4EUSP2
Questin SCHEMBL29359576 0.79 ELANE (0.73) MAPTMEN1KMT2AKDM4EUSP2
Questin SCHEMBL15676283 0.79 ELANE (0.73) MAPTMEN1KMT2AKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943085-A2 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH Zurich (CH) 2022-01-26 — — EP claimed
EP-3943085-A2 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH Zurich (CH) 2022-01-26 — — EP disclosed
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