Sugi Predict

Sugi Predict / Compounds / SCHEMBL4535935

SCHEMBL4535935

SCHEMBL4535935

O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.52
▸ EPHX1 P07099 18/20 0.52
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4535087 0.95 EPHX1 (0.49) EPHX2EPHX1LMNATSHRALOX12
SCHEMBL4541259 0.91 EPHX2 (0.55) EPHX2EPHX1
SCHEMBL4537182 0.89 EPHX2 (0.58) EPHX2EPHX1
SCHEMBL4543065 0.87 EPHX2 (0.48) EPHX2EPHX1LMNATSHRALOX12
SCHEMBL4537384 0.87 P2RX7 (0.45) EPHX2
SCHEMBL4539041 0.86 LMNA (0.60) EPHX2EPHX1LMNATSHRALOX12
SCHEMBL4540068 0.85 EPHX1 (0.54) EPHX2EPHX1LMNATSHRALOX12
SCHEMBL8065460 0.84 EPHX1 (0.56) EPHX2EPHX1
SCHEMBL4539882 0.84 EPHX1 (0.56) EPHX2EPHX1
SCHEMBL4533128 0.83 EPHX1 (0.51) EPHX2EPHX1LMNATSHRALOX12

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