SCHEMBL5731473

SCHEMBL5731473

CC(C)N(c1sc(-c2nccs2)cc1OC(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 2/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MDM2 Q00987 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
PTGDR Q13258 1/20 0.30

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
SCHEMBL5731703 0.92 KCNB1 (0.34) KCNB1MEN1LMNATSHRMAPK1
SCHEMBL5446830 0.86 MDM2 (0.33) KCNB1MEN1LMNATSHRMAPK1
SCHEMBL5446834 0.86 MDM2 (0.33) KCNB1MEN1LMNATSHRMAPK1
SCHEMBL5448010 0.84 KCNB1 (0.34) KCNB1MEN1LMNATSHRMAPK1
SCHEMBL5448013 0.84 KCNB1 (0.34) KCNB1MEN1LMNATSHRMAPK1
SCHEMBL5727980 0.82 KDM4E (0.38) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL5728226 0.79
SCHEMBL5731959 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL5728575 0.77 GABRA1 (0.33)
SCHEMBL6110869 0.74 IKBKB (0.33)

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
EP-1694665-A2 SUBSTITUTED THIOPHENES AiCuris GmbH & Co. KG (DE) 2006-08-30 EP disclosed
WO-2005063734-A2 SUBSTITUTED THIOPHENES AICURIS GMBH & CO. KG (DE) 2005-07-14 WO disclosed