SCHEMBL19865293

SCHEMBL19865293

CCc1ccc(B2OC(C)CC(C)(C)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.41
▸ LIPG Q9Y5X9 5/20 0.41
▸ F11 P03951 1/20 0.33
▸ ESR2 Q92731 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL21090587 0.84 LPL (0.35) LPLLIPGF11
SCHEMBL19865577 0.81 LPL (0.31) LPLLIPG
SCHEMBL4977958 0.81 LPL (0.40) LPLLIPG
SCHEMBL21090923 0.80 LPL (0.32) LPLLIPG
SCHEMBL24845746 0.76 LPL (0.44) LPLLIPGF11ESR2NPSR1
SCHEMBL22084681 0.72 CDC7 (0.35) —
SCHEMBL22084689 0.71 HPGD (0.36) —
SCHEMBL11300523 0.71 LPL (0.72) LPLLIPGF11ESR2HIF1A
SCHEMBL22084424 0.71 PDE10A (0.38) —
SCHEMBL19865291 0.67 LPL (0.43) LPLLIPGF11ESR2NPSR1

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
WO-2018031662-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF GENENTECH, INC. (US) 2018-02-15 — — WO disclosed
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