SCHEMBL7629110

SCHEMBL7629110

CCOC(CC(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
FFAR1 O14842 5/20 0.32
FFAR3 O14843 1/20 0.32
PPARG P37231 1/20 0.32
GPR84 Q9NQS5 4/20 0.31
MMP2 P08253 3/20 0.31
MMP3 P08254 3/20 0.31
MMP1 P03956 2/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL16877198 0.81 FFAR1 (0.37) PGDSLC22A6TDP1FFAR1FFAR3
SCHEMBL3822835 0.79 GAA (0.43) TDP1
SCHEMBL7783980 0.77 PGD (0.37) PGDSLC22A6TDP1
SCHEMBL3820624 0.76 AKR1B1 (0.39) SLC22A6TDP1FFAR1PPARGGPR84
SCHEMBL27275118 0.74 GABRP (0.38) FFAR3
SCHEMBL202165 0.72 SLC22A6 (0.39) PGDSLC22A6TDP1FFAR1FFAR3
SCHEMBL25946702 0.71 MMP1 (0.33) PGDSLC22A6TDP1MMP2MMP3
SCHEMBL15431751 0.71 THRB (0.40)
SCHEMBL12220680 0.71 THRB (0.40)
SCHEMBL12222194 0.71 THRB (0.40)

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-117794583-A Bisbenzimidazole STING agonist immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2024-03-29 CN disclosed
EP-0790260-B1 Solid catalyst components for polymerization JAPAN POLYOLEFINS CO LTD (JP) 2002-11-06 EP disclosed