SCHEMBL25810413

SCHEMBL25810413

C=C1NCc2c(B3OC(C)(C)C(C)(C)O3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32

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
SCHEMBL1335533 0.82 CLK4 (0.47)
SCHEMBL30905974 0.71 PARP1 (0.54)
SCHEMBL22120086 0.71 PARP1 (0.54)
SCHEMBL476860 0.70 LPL (0.33) LPLLIPG
SCHEMBL31707905 0.70 ALDH1A1 (0.37) LPLLIPG
SCHEMBL15956758 0.70 NOTUM (0.34) LPLLIPG
SCHEMBL26036394 0.70 PNMT (0.41) LPLLIPG
SCHEMBL31161182 0.70 NOTUM (0.34) LPLLIPG
SCHEMBL30025742 0.70 PNMT (0.41) LPLLIPG
SCHEMBL508291 0.70 ALDH1A1 (0.37) LPLLIPG

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
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed