SCHEMBL29359665

SCHEMBL29359665

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ EPHX2 P34913 4/20 0.43
▸ ELANE P08246 3/20 0.39
▸ PARP1 P09874 7/20 0.38
▸ PTPN1 P18031 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ TERT O14746 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33

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
SCHEMBL23522374 0.94 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2ELANE
SCHEMBL29362349 0.94 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2ELANE
Alterporriol C SCHEMBL29359613 0.91 NFKB1 (0.70) NFKB1NFKB2RELAEPHX2ELANE
Alterporriol G/H SCHEMBL904379 0.91 NFKB1 (0.55) NFKB1NFKB2RELAEPHX2ELANE
Alterporriol G/H SCHEMBL15338594 0.91 NFKB1 (0.55) NFKB1NFKB2RELAEPHX2ELANE
SCHEMBL13063713 0.90 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2ELANE
SCHEMBL904371 0.90 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2ELANE
SCHEMBL14923296 0.89 NFKB1 (0.57) NFKB1NFKB2RELAEPHX2ELANE
SCHEMBL23522462 0.84 NFKB1 (0.67) NFKB1NFKB2RELAPARP1PTPN1
SCHEMBL29360017 0.84 NFKB1 (0.67) NFKB1NFKB2RELAPARP1PTPN1

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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