SCHEMBL4540917

SCHEMBL4540917

O=C(CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
EPHX1 P07099 3/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
EPHX2 P34913 2/20 0.50
TRPV4 Q9HBA0 4/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR6 P51684 3/20 0.46
TGM2 P21980 1/20 0.43
USP5 P45974 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
SCHEMBL4542516 0.94 LMNA (0.49) LMNAALDH1A1EPHX1GAATSHR
SCHEMBL4536795 0.89 EPHX1 (0.54) LMNAALDH1A1EPHX1GAATSHR
SCHEMBL4539395 0.89 LMNA (0.47) LMNAALDH1A1EPHX1GAATSHR
SCHEMBL4541867 0.88 CNR1 (0.51) LMNAEPHX1GAAHTTEPHX2
SCHEMBL4542983 0.87 EPHX1 (0.57) LMNAALDH1A1EPHX1GAATSHR
SCHEMBL4536605 0.87 LMNA (0.67) LMNAALDH1A1EPHX1TSHRALOX12
SCHEMBL4542094 0.87 NPC1 (0.57) LMNAALDH1A1EPHX1GAATSHR
SCHEMBL3917484 0.86 EPHX2 (0.62) LMNAALDH1A1GAATSHRALOX12
SCHEMBL4541877 0.84 PKM (0.56) LMNAALDH1A1EPHX1GAATSHR
SCHEMBL4011026 0.84 GAA (0.62) LMNAALDH1A1EPHX1GAATSHR

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