SCHEMBL4537833

SCHEMBL4537833

O=C(CC1CCCCN1S(=O)(=O)c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 5/20 0.44
HTR7 P34969 1/20 0.43
TSHR P16473 2/20 0.43
EPHX1 P07099 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL4542153 0.97 ALDH1A1 (0.47) RAB9AALDH1A1L3MBTL1MAPTTDP1
SCHEMBL4540868 0.90 BDKRB1 (0.49) RAB9AALDH1A1MAPTTSHREPHX1
SCHEMBL4541294 0.90 PSEN1 (0.56) ALDH1A1MAPTLMNATSHREPHX1
SCHEMBL8062139 0.90 RAB9A (0.43) RAB9AALDH1A1L3MBTL1MAPTTDP1
SCHEMBL4537242 0.90 NPC1 (0.53) RAB9AALDH1A1NPC1SMN1; SMN2EPHX1
SCHEMBL4539776 0.89 BRD4 (0.53) ALDH1A1LMNAEPHX1
SCHEMBL4535199 0.87 MMP1 (0.53) RAB9ANPC1
SCHEMBL4541024 0.87 RAB9A (0.48) RAB9AL3MBTL1LMNAEPHX1
SCHEMBL4542928 0.87 LMNA (0.55) ALDH1A1LMNATSHREPHX1PSEN1
SCHEMBL4542819 0.86 RAB9A (0.54) RAB9ANPC1SMN1; SMN2EPHX1

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