SCHEMBL28552677

SCHEMBL28552677

CC(C)(C)OC(=O)c1ccccc1-c1ccc(Cn2nnc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 10/20 0.62
▸ NAMPT P43490 1/20 0.48
▸ MME P08473 2/20 0.47
▸ PPARG P37231 2/20 0.47
▸ ACHE P22303 1/20 0.45
▸ CDK9 P50750 1/20 0.42
▸ GRM2 Q14416 1/20 0.42

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
SCHEMBL28559641 0.92 HCAR3 (0.50) HCAR3NAMPTMMEPPARGACHE
SCHEMBL28559617 0.89 PPARG (0.51) HCAR3PPARG
SCHEMBL16713328 0.83 NR1H4 (0.51) PPARGACHE
SCHEMBL14977445 0.83 PPARG (0.47) PPARGACHE
SCHEMBL16125425 0.83 PPARG (0.53) PPARGACHE
SCHEMBL14977644 0.82 PPARG (0.50) PPARGACHE
SCHEMBL16125516 0.80 PPARG (0.49) PPARGACHE
SCHEMBL16125522 0.80 PPARG (0.48) PPARGACHE
SCHEMBL16713349 0.80 NR1H4 (0.51) PPARGACHECDK9
SCHEMBL14120788 0.79 PPARG (0.58) PPARGACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107434789-B Benzotriazole derivatives, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2021-04-13 — — CN disclosed
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