SCHEMBL6136584

SCHEMBL6136584

CCCCC(NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.50
NOD1 Q9Y239 4/20 0.48
CCKBR P32239 1/20 0.47
GRN P28799 4/20 0.46
SORT1 Q99523 4/20 0.46
CA2 P00918 1/20 0.43
HDAC2 Q92769 1/20 0.42
MME P08473 1/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CASP6 P55212 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
SCHEMBL4424709 0.86 TAS1R3 (0.52) CNR2CCKBRCA2HDAC2
SCHEMBL4056322 0.83 CNR2 (0.50) CNR2NOD1
SCHEMBL6349086 0.82 CNR2 (0.73) CNR2NOD1MMEPOLBKMT2A
SCHEMBL6793460 0.82 CNR2 (0.50) CNR2NOD1CCKBRGRNSORT1
SCHEMBL9354646 0.80 CNR2 (0.57) CNR2NOD1CA2MMEPOLB
SCHEMBL4060569 0.78 POLB (0.52) CNR2POLBKMT2AITGB1ITGA4
SCHEMBL6136711 0.77 THRA (0.46) CNR2CCKBRGRNSORT1POLB
SCHEMBL6136706 0.77 THRA (0.46) CNR2CCKBRGRNSORT1POLB
SCHEMBL31661673 0.77 CNR2 (0.72) CNR2NOD1POLBKMT2AITGB1
SCHEMBL10354480 0.76 GPR34 (0.55) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951464-B1 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 PHARM INC (US) 2005-05-11 EP claimed