SCHEMBL29360014

SCHEMBL29360014

COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O)c(-c3c(O)c(C)c(O)c4c3C(=O)c3c(O)cc(OC)cc3C4=O)c1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ PIM1 P11309 2/20 0.50
▸ EPHX2 P34913 4/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ACLY P53396 3/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ PTP4A3 O75365 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ESR1 P03372 1/20 0.44

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
SCHEMBL23522375 0.92 ELANE (0.70) ELANEALDH1A1MAPTKDM4EALOX15
Parietin SCHEMBL29356669 0.86 MAPT (0.66) ELANEALDH1A1MAPTKDM4EALOX15
Parietin SCHEMBL16226462 0.86 MAPT (0.66) ELANEALDH1A1MAPTKDM4EALOX15
SCHEMBL16226194 0.86 ELANE (0.69) ELANEALDH1A1MAPTKDM4EALOX15
SCHEMBL23522398 0.84 ELANE (0.54) ELANEALDH1A1MAPTKDM4EALOX15
SCHEMBL16226377 0.84 ELANE (0.70) ELANEALDH1A1MAPTKDM4EALOX15
Alterporriol Q SCHEMBL23522419 0.83 ELANE (0.56) ELANEALDH1A1MAPTKDM4EALOX15
Alterporriol Q SCHEMBL29356749 0.83 ELANE (0.56) ELANEALDH1A1MAPTKDM4EALOX15
SCHEMBL16227260 0.80 ELANE (0.61) ELANEALDH1A1MAPTKDM4EALOX15
SCHEMBL16226813 0.80 ELANE (0.61) ELANEALDH1A1MAPTKDM4EALOX15

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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