SCHEMBL28568699

SCHEMBL28568699

CC(Br)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ GPR119 Q8TDV5 9/20 0.46
▸ RECQL P46063 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL14921078 1.00 HPGD (0.47) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL28587990 0.91 ALDH1A1 (0.50) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL1892198 0.90 HPGD (0.53) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL4546635 0.87 HPGD (0.49) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL21316612 0.87 HPGD (0.49) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL14024977 0.87 HPGD (0.49) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL25411425 0.86 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL14241561 0.86 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL15657484 0.86 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL359045 0.86 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955490-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 渤健马萨诸塞州股份有限公司 2024-11-15 — — CN disclosed
CN-112218863-B O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 比奥根MA公司 2024-07-12 — — CN disclosed
CN-112218863-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranosidase inhibitors 比奥根MA公司 2021-01-12 — — CN disclosed
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