SCHEMBL4534534

SCHEMBL4534534

O=C(NCC1CCCCN1S(=O)(=O)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
HPGD P15428 1/20 0.51
FKBP1A P62942 7/20 0.50
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4537565 0.85 RAB9A (0.51) HPGDFKBP1AMAPK1
SCHEMBL8064982 0.85 HSD11B1 (0.45) HSD11B1FKBP1ALMNAMAPK1SMN1; SMN2
SCHEMBL4541859 0.82 RAB9A (0.54) HPGDGAA
SCHEMBL4534536 0.81 FKBP1A (0.52) HPGDFKBP1ALMNAMAPK1SMN1; SMN2
SCHEMBL4533522 0.80 KMT2A (0.44) HPGD
SCHEMBL8058698 0.80 KMT2A (0.44) HPGD
SCHEMBL4531364 0.80 HSD11B1 (0.44) HSD11B1HPGDLMNAGAA
SCHEMBL4537337 0.79 ATM (0.46) HSD11B1HPGDLMNAGAA
SCHEMBL4536848 0.79 HTR1A (0.48)
SCHEMBL4535257 0.78 RAB9A (0.53) GAA

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 1 patent. 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