SCHEMBL7810596

SCHEMBL7810596

COc1ccc([C@H]2N(c3ccccc3)C(=O)[C@@]23CCC(=O)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.55
SOAT1 P35610 2/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
ABCB1 P08183 2/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7818005 1.00 HSD11B1 (0.55) HSD11B1SOAT1KCNH2POLBMEN1
SCHEMBL1388689 0.77 HSD11B1 (0.51) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL13956661 0.76 TRPV1 (0.43) HSD11B1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL23975119 0.76 POLB (0.70) HSD11B1SOAT1KCNH2POLBMEN1
SCHEMBL1388808 0.75 HSD11B1 (0.48) HSD11B1SOAT1POLBMEN1KMT2A
SCHEMBL8103610 0.71 HSD11B1 (1.00) HSD11B1SOAT1KCNH2POLBGFER
SCHEMBL19850690 0.71 HSD11B1 (0.60) HSD11B1SOAT1KCNH2POLBMEN1
SCHEMBL7814794 0.71 HSD11B1 (0.54) HSD11B1KCNH2POLBMEN1KMT2A
SCHEMBL5697557 0.68 HSD11B1 (0.51) HSD11B1SOAT1KCNH2POLBMEN1
SCHEMBL1997854 0.67 L3MBTL1 (0.56) HSD11B1POLBMEN1MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681569-B1 SPIROCYCLOALKYL-SUBSTITUTED AZETIDINONES USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORP (US) 2001-03-21 EP disclosed
EP-0681569-A1 SPIROCYCLOALKYL-SUBSTITUTED AZETIDINONES USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-11-15 EP disclosed
WO-1994017038-A1 SPIROCYCLOALKYL-SUBSTITUTED AZETIDINONES USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1994-08-04 WO disclosed