SCHEMBL29360532

SCHEMBL29360532

COc1cc2c(c(O)c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C[C@@H](O)[C@@](C)(O)[C@@H]1O)C3=O)C(=O)C1=C(C[C@](C)(O)[C@H](O)C1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ IDO1 P14902 1/20 0.35
▸ SOS1 Q07889 2/20 0.34
▸ PARP1 P09874 4/20 0.30
▸ PTPN1 P18031 4/20 0.30
▸ TERT O14746 1/20 0.30

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
SCHEMBL23522427 0.92 SOS1 (0.39) NFKB1NFKB2RELAIDO1SOS1
SCHEMBL23522410 0.86 NFKB1 (0.45) NFKB1NFKB2RELAIDO1PARP1
SCHEMBL23199091 0.79 SOS1 (0.43) NFKB1NFKB2RELAIDO1SOS1
SCHEMBL23522423 0.77 IDO1 (0.46) IDO1SOS1PTPN1
SCHEMBL23522371 0.77 NFKB1 (0.50) NFKB1NFKB2RELAIDO1PARP1
Alterporriol P SCHEMBL29360385 0.76 NFKB1 (0.49) NFKB1NFKB2RELAIDO1PARP1
Altersolanol B SCHEMBL30514811 0.74 NFKB1 (0.52) NFKB1NFKB2RELAIDO1SOS1
Altersolanol B SCHEMBL23522406 0.74 NFKB1 (0.52) NFKB1NFKB2RELAIDO1SOS1
Altersolanol C SCHEMBL23199105 0.73 NFKB1 (0.66) NFKB1NFKB2RELAIDO1
SCHEMBL23522388 0.70 NFKB1 (0.41) NFKB1NFKB2RELAIDO1SOS1

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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