SCHEMBL8329910

SCHEMBL8329910

COC(=O)c1c(O)cc(C)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
RECQL P46063 2/20 0.63
GAA P10253 2/20 0.63
GLO1 Q04760 1/20 0.59
APP P05067 3/20 0.57
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
ABL1 P00519 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
BLM P54132 1/20 0.55
BCL2L1 Q07817 1/20 0.55
MCL1 Q07820 1/20 0.55
RIN1 Q13671 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
CYP3A4 P08684 4/20 0.54
HPGD P15428 1/20 0.54
ACHE P22303 2/20 0.53
CNR2 P34972 2/20 0.50

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
SCHEMBL8330318 0.88 POLB (0.53) POLBRECQLGAAGLO1APP
SCHEMBL1636307 0.86 CYP3A4 (0.62) POLBRECQLGAAGLO1APP
SCHEMBL4408095 0.83 CYP3A4 (0.68) POLBRECQLGAAGLO1APP
SCHEMBL29788586 0.83 CYP3A4 (0.68) POLBRECQLGAAGLO1APP
SCHEMBL26605028 0.83 GLO1 (0.54) POLBRECQLGAAGLO1APP
SCHEMBL26604790 0.83 GLO1 (0.54) POLBRECQLGAAGLO1APP
SCHEMBL9595637 0.81 POLB (0.59) POLBRECQLGAAGLO1APP
SCHEMBL21957666 0.81 CYP3A4 (0.71) POLBRECQLGAAKDM4EMAPT
SCHEMBL3469596 0.81 CYP3A4 (0.72) POLBRECQLGAAGLO1APP
SCHEMBL13197631 0.80 POLB (0.82) POLBRECQLGAAGLO1APP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed
WO-2020239658-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2020-12-03 WO disclosed
US-5986131-A UNSATURATED CARBOXYLIC ACID DERIVATIVES AS LIGANDS AND RETINOIC ACID RECEPTORS HOFFMANN-LA ROCHE INC. (US) 1999-11-16 US disclosed
EP-0728742-B1 Novel retinoids HOFFMANN LA ROCHE (CH) 1999-10-20 EP disclosed
EP-0728742-A2 Novel retinoids F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP disclosed