SCHEMBL30480752

SCHEMBL30480752

C=CC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(COC(N)=O)cc2OCCC(C)C=C)cn1COCC[Si](C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.30

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
SCHEMBL615257 0.87 SUV39H2 (0.32) DGAT1
SCHEMBL29053468 0.83
SCHEMBL30480731 0.83
SCHEMBL29053466 0.83
SCHEMBL29053464 0.79 DGAT1 (0.33) DGAT1
SCHEMBL615297 0.79 DGAT1 (0.33) DGAT1
SCHEMBL615227 0.78 F11 (0.33) DGAT1
SCHEMBL614413 0.77 DGAT1 (0.32) DGAT1
SCHEMBL29053524 0.77 DGAT1 (0.33) DGAT1
SCHEMBL615763 0.77 DGAT1 (0.33) DGAT1

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-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed