SCHEMBL7587946

SCHEMBL7587946

O=C(O)OC12CC3CC(CC(C3)C1C(=O)C13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HSD11B1 P28845 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
P2RX7 Q99572 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
SCHEMBL27659428 0.74 NAAA (0.35) GLAKDM4EHTTSCN1ASCN2A
SCHEMBL7587941 0.74 HSD11B1 (0.35) GLAKDM4EHTTHSD11B1L3MBTL1
SCHEMBL383263 0.68 THRB (0.31) KDM4EHTT
SCHEMBL13219532 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5607981 0.67 LMNA (0.36) HSD11B1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL865316 0.65 CYP19A1 (0.43) GLAHTTGAAALDH1A1TSHR
SCHEMBL7749055 0.64 SCN1A (0.46) GLAKDM4ESCN1ASCN2ASCN3A
Ammonia Solution, Strong SCHEMBL4339903 0.64 CYP19A1 (0.42) GLAHTTGAAALDH1A1TSHR
SCHEMBL2746956 0.62 THRB (0.38) HSD11B1GAAALDH1A1P2RX7
SCHEMBL19557166 0.62 HSD11B1 (0.48) GLAKDM4EHTTHSD11B1L3MBTL1

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