SCHEMBL29868005

SCHEMBL29868005

COC(=O)c1c(C)oc(C)c(C(=O)OC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
GAA P10253 3/20 0.50
IDO1 P14902 1/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP2 O95551 1/20 0.40

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
SCHEMBL8397225 0.88 ALDH1A1 (0.78) ALDH1A1GAAIDO1POLBNPC1
SCHEMBL10845124 0.82 ALDH1A1 (0.69) ALDH1A1GAAIDO1POLBNPC1
SCHEMBL1176806 0.78 ALDH1A1 (0.64) ALDH1A1GAANPC1MAPTNPSR1
SCHEMBL1772596 0.75 CYP2C9 (0.64) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1974952 0.74 KDM4E (0.60) ALDH1A1GAAPOLBMAPTSMN1; SMN2
SCHEMBL9822717 0.74 ALDH1A1 (0.58) ALDH1A1GAAIDO1MAPTRECQL
SCHEMBL9788316 0.72 ALDH1A1 (0.56) ALDH1A1GAAIDO1POLBMAPT
SCHEMBL28456734 0.72 ALDH1A1 (0.56) ALDH1A1GAAIDO1POLBMAPT
SCHEMBL3018475 0.72 GAA (0.62) ALDH1A1GAAIDO1POLBNPC1
SCHEMBL3936548 0.72 GAA (0.62) ALDH1A1GAAIDO1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294804-B1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2026-04-08 EP disclosed
CN-117440951-A Pyridone compounds and methods of use 埃克塞里艾克西斯公司 2024-01-23 CN disclosed
EP-4294804-A1 PYRIDONE COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-12-27 EP disclosed
WO-2022178205-A1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS, INC. (US) 2022-08-25 WO disclosed