SCHEMBL4539809

SCHEMBL4539809

O=C(CC1CCN(S(=O)(=O)c2cccc(Cl)c2)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
LMNA P02545 4/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX1 P07099 2/20 0.46
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
USP30 Q70CQ3 1/20 0.42
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 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
SCHEMBL8053303 1.00 HSD11B1 (0.52) HSD11B1LMNAUSP2TSHRALOX12
SCHEMBL4539317 0.95 HSD11B1 (0.49) HSD11B1LMNAUSP2TSHRALOX12
SCHEMBL4542374 0.94 HSD11B1 (0.53) HSD11B1LMNAUSP2TSHRALOX12
SCHEMBL4537257 0.88 LMNA (0.51) HSD11B1LMNAUSP2TSHRALOX12
SCHEMBL4539985 0.88 TSHR (0.50) HSD11B1LMNAUSP2TSHRALOX12
SCHEMBL4536776 0.88 LMNA (0.62) LMNAUSP2TSHRALOX12HTT
SCHEMBL4540431 0.88 NPC1 (0.55) LMNAUSP2TSHRALOX12HTT
SCHEMBL8059966 0.87 KMT2A (0.42) HSD11B1LMNAUSP2TSHRALOX12
SCHEMBL4537706 0.87 EPHX2 (0.48) LMNAUSP2EPHX1KMT2ASMN1; SMN2
SCHEMBL4540068 0.87 EPHX1 (0.54) HSD11B1LMNAUSP2TSHRALOX12

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