SCHEMBL4536862

SCHEMBL4536862

COc1cc(C)ccc1S(=O)(=O)N1CCCCC1CNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.45
PAX8 Q06710 1/20 0.43
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 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
SCHEMBL4537168 0.91 RAB9A (0.47) RAB9ANPC1PAX8
SCHEMBL4542922 0.89 RAB9A (0.49) HCRTR1HCRTR2RAB9ANPC1PAX8
SCHEMBL4537759 0.88 RAB9A (0.45) RAB9ANPC1PAX8
SCHEMBL8067674 0.87 ALDH1A1 (0.46) ALDH1A1POLBHCRTR1HCRTR2RAB9A
SCHEMBL4542326 0.85 RAB9A (0.47) ALDH1A1POLBRAB9ANPC1
SCHEMBL4541691 0.85 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1NCOA1NCOA3
SCHEMBL4536863 0.84 HCRTR1 (0.52) HCRTR1HCRTR2RAB9ANPC1MCOLN3
SCHEMBL4540629 0.84 HCRTR1 (0.47) ALDH1A1POLBHCRTR1HCRTR2RAB9A
SCHEMBL4535257 0.83 RAB9A (0.53) ALDH1A1RAB9APAX8NCOA1NCOA3
SCHEMBL4537002 0.82 RAB9A (0.44) ALDH1A1RAB9APAX8NCOA1NCOA3

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