SCHEMBL6136457

SCHEMBL6136457

CC(NC(=O)Cc1coc(-c2ccccc2)n1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
SHMT2 P34897 4/20 0.50
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
SHMT1 P34896 2/20 0.50
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
FFAR1 O14842 1/20 0.45
HPGD P15428 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6136460 1.00 LMNA (0.56) LMNAGAATSHRKMT2ASHMT2
SCHEMBL6136446 0.86 LMNA (0.50) LMNAGAATSHRKMT2ASHMT2
SCHEMBL6136445 0.86 LMNA (0.50) LMNAGAATSHRKMT2ASHMT2
SCHEMBL24663712 0.80 LMNA (0.52) LMNAGAATSHRKMT2APPARG
SCHEMBL4415483 0.77 LMNA (0.58) LMNAGAATSHRKMT2AFFAR1
Hydrochloric Acid SCHEMBL1374005 0.76 LMNA (0.57) LMNAGAATSHRKMT2AFFAR1
SCHEMBL20255810 0.74 SHMT2 (0.79) LMNAGAAKMT2ASHMT2SHMT1
SCHEMBL6932791 0.72 PPARG (0.46) LMNAGAATSHRKMT2APPARG
SCHEMBL5869970 0.72 PPARG (0.46) LMNAGAATSHRKMT2APPARG
SCHEMBL5869966 0.72 PPARG (0.46) LMNAGAATSHRKMT2APPARG

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