SCHEMBL31237486

SCHEMBL31237486

Cc1cccc2c1ccc1c3occ(C)c3c(=O)oc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.78
ESR2 Q92731 8/20 0.50
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CES2 O00748 1/20 0.43
KDM1A O60341 1/20 0.43
EED O75530 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTPN6 P29350 1/20 0.43
BLM P54132 1/20 0.43
PTPN11 Q06124 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
HIF1A Q16665 1/20 0.43
NSD1 Q96L73 1/20 0.43
EPAS1 Q99814 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 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
SCHEMBL12115014 1.00 CES1 (0.78) CES1ESR2BCHEACHECES2
SCHEMBL3580678 0.86 CES1 (0.59) CES1ESR2BCHEACHEPOLB
SCHEMBL3584746 0.84 CES1 (0.59) CES1ESR2BCHEACHEPOLB
SCHEMBL3584503 0.82 CES1 (0.78) CES1ESR2BCHEACHECES2
SCHEMBL3584662 0.78 CES1 (0.53) CES1ESR2BCHEACHEESR1
SCHEMBL3585903 0.77 CES1 (0.48) CES1ESR2BCHEACHECES2
SCHEMBL3585460 0.76 CES1 (0.51) CES1ESR2BCHEACHEPOLB
SCHEMBL13286304 0.71 CES1 (0.49) CES1ESR2BCHEACHEPOLB
SCHEMBL16143706 0.69 CES1 (0.49) CES1ESR2CES2KDM1AEED
SCHEMBL29314362 0.68 CES1 (0.55) CES1ESR2BCHEACHECES2

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
CN-119350215-A Synthesis method of furan derivative containing exocyclic double bond 广西民族大学 2025-01-24 CN disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed