SCHEMBL4530295

SCHEMBL4530295

O=C(NCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.41

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
SCHEMBL4537228 0.97 POLB (0.41) POLBRAB9ADRD2
SCHEMBL4542462 0.88 RAB9A (0.46) RAB9A
SCHEMBL4541720 0.86 POLB (0.43) POLBRAB9A
SCHEMBL4534376 0.86 PSEN1 (0.40) RAB9ADRD2
SCHEMBL4542909 0.86 TP53 (0.47) POLBRAB9A
SCHEMBL4542334 0.85 PSEN1 (0.53) POLBRAB9A
SCHEMBL4538792 0.85 PSEN1 (0.53) POLBRAB9A
SCHEMBL4538974 0.85 CYP19A1 (0.39) RAB9A
SCHEMBL4531367 0.85 RAB9A (0.43) RAB9A
SCHEMBL4537039 0.85 EPHX2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed