SCHEMBL8441996

SCHEMBL8441996

CC(C)COC(=O)[C@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1.CC(C)COC(=O)[C@H](C)NC(=O)Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CLK1 P49759 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40

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
SCHEMBL8441994 1.00 RORC (0.47) RORCMAPTMEN1ALDH1A1LMNA
SCHEMBL4418514 0.89 CYP1A2 (0.52) RORCMAPTALDH1A1HTTCYP1A2
SCHEMBL4418516 0.89 CYP1A2 (0.52) RORCMAPTALDH1A1HTTCYP1A2
SCHEMBL4414749 0.88 L3MBTL1 (0.44) MAPTMEN1ALDH1A1LMNAHTT
SCHEMBL6136304 0.88 L3MBTL1 (0.44) MAPTMEN1ALDH1A1LMNAHTT
SCHEMBL8593691 0.85 RORC (0.40) RORCMAPTALDH1A1LMNAHTT
SCHEMBL8446008 0.84 CNR2 (0.46) MAPTMEN1ALDH1A1LMNAHTT
SCHEMBL8446006 0.84 CNR2 (0.46) MAPTMEN1ALDH1A1LMNAHTT
SCHEMBL4416916 0.78 ALDH1A1 (0.53) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL4416918 0.78 ALDH1A1 (0.53) MEN1ALDH1A1LMNAHTTKMT2A

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-0951464-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP claimed
WO-1998022430-A9 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS 1998-08-20 WO claimed
WO-1998022430-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed