SCHEMBL29360149

SCHEMBL29360149

COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H]([C@@H]2C3=C(C(=O)c4cc(OC)cc(O)c4C3=O)[C@@H](O)[C@](C)(O)[C@@H]2O)[C@@H](O)[C@@](C)(O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.82
▸ NFKB2 Q00653 2/20 0.82
▸ RELA Q04206 2/20 0.82
▸ IDO1 P14902 1/20 0.51
▸ ELANE P08246 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MYLK Q15746 1/20 0.37
▸ POLK Q9UBT6 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ AKR1B1 P15121 2/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ ACLY P53396 1/20 0.34

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
SCHEMBL29359598 1.00 NFKB1 (0.82) NFKB1NFKB2RELAIDO1ELANE
Altersolanol A SCHEMBL29845341 0.90 NFKB1 (1.00) NFKB1NFKB2RELAIDO1ELANE
Altersolanol A SCHEMBL14923292 0.90 NFKB1 (1.00) NFKB1NFKB2RELAIDO1ELANE
Altersolanol A SCHEMBL8734898 0.90 NFKB1 (1.00) NFKB1NFKB2RELAIDO1ELANE
Altersolanol A SCHEMBL29688970 0.90 NFKB1 (1.00) NFKB1NFKB2RELAIDO1ELANE
Altersolanol A SCHEMBL2793105 0.90 NFKB1 (1.00) NFKB1NFKB2RELAIDO1ELANE
SCHEMBL8735134 0.85 NFKB1 (0.82) NFKB1NFKB2RELAIDO1ELANE
SCHEMBL8736848 0.85 NFKB1 (0.82) NFKB1NFKB2RELAIDO1ELANE
SCHEMBL6114092 0.81 NFKB1 (0.74) NFKB1NFKB2RELAIDO1ELANE
SCHEMBL3785760 0.81 NFKB1 (0.74) NFKB1NFKB2RELAIDO1ELANE

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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