SCHEMBL4537706

SCHEMBL4537706

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
KMT2A Q03164 2/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
CNR1 P21554 1/20 0.47
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.44
EPHX1 P07099 1/20 0.44
CACNA1B Q00975 2/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4538146 0.95 CNR1 (0.47) EPHX2KMT2ALMNAL3MBTL1USP2
SCHEMBL4541867 0.94 CNR1 (0.51) EPHX2KMT2ALMNAL3MBTL1USP2
SCHEMBL4539985 0.89 TSHR (0.50) KMT2ALMNAL3MBTL1USP2MEN1
SCHEMBL4542516 0.88 LMNA (0.49) EPHX2KMT2ALMNAGAAMEN1
SCHEMBL4540476 0.88 EPHX2 (0.51) EPHX2KMT2ALMNAL3MBTL1USP2
SCHEMBL8058688 0.87 KMT2A (0.45) KMT2ALMNAL3MBTL1CNR1GAA
SCHEMBL8053303 0.87 HSD11B1 (0.52) KMT2ALMNAUSP2MEN1EPHX1
SCHEMBL4539809 0.87 HSD11B1 (0.52) KMT2ALMNAUSP2MEN1EPHX1
SCHEMBL4537257 0.87 LMNA (0.51) EPHX2KMT2ALMNAUSP2GAA
SCHEMBL4540431 0.86 NPC1 (0.55) EPHX2KMT2ALMNAL3MBTL1USP2

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