SCHEMBL4542153

SCHEMBL4542153

O=C(CC1CCCN1S(=O)(=O)c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTR7 P34969 1/20 0.46
LMNA P02545 4/20 0.46
TRPA1 O75762 1/20 0.46
ATM Q13315 1/20 0.45
FKBP1A P62942 2/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 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
SCHEMBL4537833 0.97 RAB9A (0.48) ALDH1A1L3MBTL1HTR7LMNATRPA1
SCHEMBL4541024 0.90 RAB9A (0.48) L3MBTL1LMNAFKBP1ARAB9AEPHX1
SCHEMBL4542928 0.90 LMNA (0.55) ALDH1A1LMNAFKBP1ATSHREPHX1
SCHEMBL4542819 0.89 RAB9A (0.54) FKBP1ARAB9AEPHX1NPC1
SCHEMBL4541345 0.88 POLB (0.44) ALDH1A1L3MBTL1HTR7LMNARAB9A
SCHEMBL4542205 0.87 RAB9A (0.52) RAB9ANPC1
SCHEMBL8062139 0.87 RAB9A (0.43) ALDH1A1L3MBTL1HTR7LMNATRPA1
SCHEMBL4540868 0.87 BDKRB1 (0.49) ALDH1A1RAB9ATSHREPHX1MAPT
SCHEMBL4541294 0.87 PSEN1 (0.56) ALDH1A1LMNAFKBP1ATSHREPHX1
SCHEMBL4537242 0.86 NPC1 (0.53) ALDH1A1FKBP1ARAB9AEPHX1NPC1

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed