SCHEMBL4542928

SCHEMBL4542928

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALOX12 P18054 1/20 0.55
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
EPHX2 P34913 1/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
BDKRB1 P46663 1/20 0.45
FKBP1A P62942 2/20 0.44
PAX8 Q06710 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
SCHEMBL4541294 0.97 PSEN1 (0.56) LMNATSHRHTTNPSR1ALOX12
SCHEMBL4541024 0.90 RAB9A (0.48) LMNAEPHX2HPGDBDKRB1FKBP1A
SCHEMBL4542153 0.90 ALDH1A1 (0.47) LMNATSHRHTTNPSR1ALOX12
SCHEMBL4542819 0.89 RAB9A (0.54) EPHX2FKBP1AEPHX1
SCHEMBL4536998 0.88 BDKRB1 (0.49) LMNATSHRHTTNPSR1ALOX12
SCHEMBL8060066 0.87 PSEN1 (0.50) LMNATSHRHTTNPSR1ALOX12
SCHEMBL4542205 0.87 RAB9A (0.52) BDKRB1PAX8HCRTR1HCRTR2
SCHEMBL4540868 0.87 BDKRB1 (0.49) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL4537833 0.87 RAB9A (0.48) LMNATSHRHTTNPSR1ALOX12
SCHEMBL4537242 0.86 NPC1 (0.53) EPHX2ALDH1A1BDKRB1FKBP1AEPHX1

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