SCHEMBL23935944

SCHEMBL23935944

BC(O)(O)COc1ncccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 5/20 0.36
DGAT1 O75907 1/20 0.33
ROCK2 O75116 1/20 0.32
FFAR1 O14842 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
SSTR4 P31391 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL22293770 0.92 LIPE (0.36) LIPEDGAT1ROCK2FFAR1AAK1
SCHEMBL20428054 0.89 LIPE (0.35) LIPEDGAT1ROCK2AAK1
SCHEMBL29879749 0.84 LIPE (0.42) LIPEAAK1SSTR4
SCHEMBL25300352 0.84 LIPE (0.42) LIPEAAK1SSTR4
SCHEMBL22293781 0.83 LIPE (0.39) LIPEDGAT1ROCK2FFAR1MEN1
SCHEMBL23935943 0.82 LIPE (0.36) LIPEROCK2
SCHEMBL29900384 0.80 L3MBTL1 (0.36) LIPE
SCHEMBL365301 0.80 L3MBTL1 (0.36) LIPE
SCHEMBL20428078 0.80 LIPE (0.36) LIPEDGAT1ROCK2
SCHEMBL20428063 0.78 LIPE (0.35) LIPEROCK2

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-3723808-B1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H LUNDBECK AS (DK) 2021-10-20 EP disclosed