SCHEMBL7828286

SCHEMBL7828286

CC(C)(C)OC(=O)NNC(C)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
GAA P10253 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
APLNR P35414 1/20 0.38
CTSS P25774 5/20 0.37
CTSK P43235 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL29129574 0.78 APLNR (0.41) DGAT1GAAMEN1KMT2AAPLNR
SCHEMBL23581197 0.75 DGAT1 (0.46) DGAT1GAAMEN1KMT2ACTSS
SCHEMBL15952952 0.75 DGAT1 (0.46) DGAT1GAAMEN1KMT2ACTSS
SCHEMBL5073789 0.74 APLNR (0.44) DGAT1GAAMEN1KMT2AAPLNR
SCHEMBL8486595 0.74 DGAT1 (0.45) DGAT1GAAMEN1KMT2ACTSS
SCHEMBL284141 0.73 APLNR (0.55) DGAT1GAAMEN1KMT2AAPLNR
SCHEMBL29129601 0.73 APLNR (0.41) GAAMEN1KMT2AAPLNRCTSS
SCHEMBL29129533 0.73 APLNR (0.41) GAAMEN1KMT2AAPLNRCTSS
SCHEMBL31252045 0.73 APLNR (0.39) DGAT1GAAMEN1KMT2AAPLNR
SCHEMBL25229366 0.73 MEN1 (0.44) DGAT1GAAMEN1KMT2ACTSS

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-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed