SCHEMBL8060003

SCHEMBL8060003

COc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)NC23CC4CC5CC(C2)C3(C5)C4)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 1/20 0.41
FKBP1A P62942 1/20 0.41
PAX8 Q06710 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8066489 0.98 RAB9A (0.43) RAB9ANPC1FKBP1APAX8TSHR
SCHEMBL8062528 0.88 RAB9A (0.50) RAB9ANPC1PAX8
SCHEMBL4538117 0.88 FKBP1A (0.48) RAB9ANPC1FKBP1APAX8LMNA
SCHEMBL8068365 0.86 RAB9A (0.42) RAB9ANPC1FKBP1APAX8LMNA
SCHEMBL8062526 0.83 NPC1 (0.38) RAB9ANPC1ALDH1A1
SCHEMBL4537168 0.82 RAB9A (0.47) RAB9ANPC1FKBP1APAX8LMNA
SCHEMBL8066636 0.81 RAB9A (0.46) RAB9APAX8TSHRALDH1A1
SCHEMBL8053617 0.81 RAB9A (0.44) RAB9ANPC1
SCHEMBL8061501 0.80 HSD11B1 (0.49)
SCHEMBL8062049 0.80 CYP19A1 (0.40) FKBP1ALMNATSHRNPSR1KDM4E

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