SCHEMBL4537566

SCHEMBL4537566

O=C(NCC1CCCCN1S(=O)(=O)c1ccccc1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
FKBP1A P62942 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4541860 0.97 RAB9A (0.61) RAB9A
SCHEMBL4539055 0.89 RAB9A (0.46) RAB9A
SCHEMBL4536845 0.89 RAB9A (0.52) RAB9ANPC1
SCHEMBL4535937 0.89 PSEN1 (0.58) RAB9AALDH1A1
SCHEMBL4535259 0.89 RAB9A (0.55) RAB9AALDH1A1
SCHEMBL4530970 0.89 HTR7 (0.52) RAB9ANPSR1
SCHEMBL4536852 0.88 HTR1A (0.52) RAB9A
SCHEMBL4538143 0.88 RAB9A (0.50) RAB9AALDH1A1
SCHEMBL4538792 0.86 PSEN1 (0.53) RAB9A
SCHEMBL4541156 0.86 RAB9A (0.58) 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 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