SCHEMBL8064682

SCHEMBL8064682

C[C@@]12CCC[C@@]3(C(=O)NCC4CCCN4S(=O)(=O)c4ccc(F)cc4)CC(CC3C1)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
HTR7 P34969 1/20 0.41
MMP1 P03956 3/20 0.41
ADAM17 P78536 1/20 0.41
PAX8 Q06710 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL8062191 0.93 RAB9A (0.49) RAB9APAX8
SCHEMBL4535339 0.83 ATM (0.47) RAB9AHTR7PAX8
SCHEMBL8064689 0.81 RAB9A (0.43) RAB9APAX8NPC1
SCHEMBL4536842 0.80 RAB9A (0.50) RAB9ANPC1
SCHEMBL4541154 0.75 RAB9A (0.56) RAB9APAX8
SCHEMBL8064827 0.74 TP53 (0.41) RAB9APAX8
SCHEMBL4537510 0.74 RAB9A (0.56) RAB9AHTR7PAX8NPC1
SCHEMBL8069502 0.74 RAB9A (0.50) RAB9ANPC1
SCHEMBL4542461 0.74 RAB9A (0.50) RAB9ANPC1
SCHEMBL4538787 0.73 PSEN1 (0.51) PAX8

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