SCHEMBL29359878

SCHEMBL29359878

COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)c(O)cc1C3=O)C(=O)c1cc(C)c(O)cc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ MAPT P10636 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ELANE P08246 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL23198970 0.90 MAPT (0.47) PIM1EGFREPHX2MAPTKDM4E
SCHEMBL23522398 0.83 ELANE (0.54) PIM1EGFREPHX2MAPTKDM4E
Alterporriol A/B SCHEMBL30948399 0.81 NFKB1 (0.59) PIM1EGFREPHX2IDO1
SCHEMBL19303812 0.79 ELANE (0.65) PIM1EGFREPHX2MAPTKDM4E
SCHEMBL28623945 0.78 EPHX2 (0.52) PIM1EGFREPHX2MAPTKDM4E
SCHEMBL23198984 0.78 ELANE (0.68) PIM1EGFREPHX2MAPTKDM4E
Macrosporin SCHEMBL16227189 0.78 ELANE (0.68) PIM1EGFREPHX2MAPTKDM4E
Macrosporin SCHEMBL30237810 0.78 ELANE (0.68) PIM1EGFREPHX2MAPTKDM4E
SCHEMBL30475405 0.77 RAB9A (0.61) PIM1EGFREPHX2MAPTKDM4E
SCHEMBL28872388 0.77 RAB9A (0.61) PIM1EGFREPHX2MAPTKDM4E

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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