SCHEMBL4535343

SCHEMBL4535343

O=C(NCC1CCCN1S(=O)(=O)c1ccc(F)cc1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.50
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.47
TRPA1 O75762 1/20 0.47

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
SCHEMBL4536845 0.97 RAB9A (0.52) HTR7RAB9AATM
SCHEMBL4537513 0.89 RAB9A (0.58) HTR7RAB9AATMLMNATRPA1
SCHEMBL4541156 0.89 RAB9A (0.58) RAB9A
SCHEMBL4542334 0.89 PSEN1 (0.53) RAB9A
SCHEMBL4538792 0.89 PSEN1 (0.53) RAB9A
SCHEMBL4541860 0.89 RAB9A (0.61) RAB9A
SCHEMBL4539544 0.88 RAB9A (0.53) RAB9A
SCHEMBL4535259 0.86 RAB9A (0.55) RAB9A
SCHEMBL4535937 0.86 PSEN1 (0.58) RAB9A
SCHEMBL4539055 0.86 RAB9A (0.46) RAB9A

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