SCHEMBL29359746

SCHEMBL29359746

COc1cc2c(c(O)c1O)C(=O)c1c(O)cc(C)cc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ ALOX15 P16050 2/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ GLA P06280 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ PIM1 P11309 2/20 0.65
▸ ACLY P53396 9/20 0.61
▸ EPHX2 P34913 4/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ PTP4A3 O75365 1/20 0.59
▸ GMNN O75496 1/20 0.59
▸ LMNA P02545 1/20 0.59

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
SCHEMBL16226994 1.00 ELANE (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL29361502 1.00 ELANE (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16226916 0.90 ELANE (0.64) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23199046 0.88 PIM1 (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23199021 0.87 ACLY (0.72) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23198975 0.85 EPHX2 (0.65) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL29709363 0.85 PIM1 (0.69) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL3272698 0.84 EPHX2 (0.68) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL30940070 0.82 ACLY (0.73) ELANEALDH1A1MAPTALOX15KDM4E
Questin SCHEMBL29359576 0.82 ELANE (0.73) ELANEALDH1A1MAPTALOX15KDM4E

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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