SCHEMBL8064982

SCHEMBL8064982

O=C(NCC1CCCCN1S(=O)(=O)Cc1ccccc1)[C@@]12C[C@@H]3C[C@H]4C[C@H](C1)C2(C3)C4

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
FKBP1A P62942 9/20 0.44
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR4 P51679 1/20 0.38

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
SCHEMBL4534534 0.85 HSD11B1 (0.56) HSD11B1FKBP1ALMNAMAPK1SMN1; SMN2
SCHEMBL8060221 0.81 HTR1A (0.43)
SCHEMBL8066519 0.81 ALDH1A1 (0.35) HSD11B1
SCHEMBL8068363 0.81 HCRTR1 (0.41) LMNASMN1; SMN2
SCHEMBL8066441 0.80 BDKRB1 (0.42) HSD11B1
SCHEMBL8064770 0.78 ALDH1A1 (0.40) MAPK1SMN1; SMN2
SCHEMBL8067674 0.77 ALDH1A1 (0.46)
SCHEMBL8068365 0.76 RAB9A (0.42) FKBP1ALMNA
SCHEMBL8053630 0.75 RAB9A (0.41)
SCHEMBL8071054 0.74 SMN1; SMN2 (0.41) SMN1; SMN2

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 disclosed