SCHEMBL7587941

SCHEMBL7587941

O=C(C1C2CC3CC(C2)CC1(C(=O)O)C3)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
GLA P06280 1/20 0.33
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL26217909 0.82 THRB (0.35) HSD11B1L3MBTL1HTTKDM4EALDH1A1
SCHEMBL74823 0.82 THRB (0.35) HSD11B1L3MBTL1HTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3683456 0.81 THRB (0.34) HSD11B1L3MBTL1LMNAPKMALDH1A1
SCHEMBL7587946 0.74 GLA (0.33) HSD11B1L3MBTL1HTTKDM4ELMNA
SCHEMBL59961 0.72 CYP2C9 (0.36) HSD11B1P2RX7ALDH1A1THRBCYP2C9
SCHEMBL1671742 0.71
SCHEMBL1072000 0.71 THRB (0.35) HSD11B1L3MBTL1HTTKDM4EALDH1A1
SCHEMBL905306 0.71 THRB (0.39) HSD11B1HTTLMNAALDH1A1CRHBP
SCHEMBL1088728 0.71 THRB (0.35) HSD11B1ALDH1A1GLATHRBCYP2C9
SCHEMBL6432701 0.71 THRB (0.35) HSD11B1L3MBTL1HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060574-A1 ALPHA BETA MODULATING PEPTIDES Alzhyme Pty Ltd (AU) 2016-08-31 EP disclosed
WO-2015058258-A1 AΒ MODULATING PEPTIDES ALZHYME PTY LTD (AU) 2015-04-30 WO disclosed
EP-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 EP disclosed
WO-2000052048-A9 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2002-04-11 WO disclosed
EP-1161449-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 2001-12-12 EP disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed
WO-2000052048-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2000-09-08 WO disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO disclosed