SCHEMBL6136328

SCHEMBL6136328

CC(NC(=O)Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.61
PSMB8 P28062 1/20 0.54
PSMB5 P28074 1/20 0.54
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SHMT1 P34896 1/20 0.49
SHMT2 P34897 1/20 0.49
UTS2R Q9UKP6 1/20 0.49
TSHR P16473 1/20 0.49
CNR1 P21554 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6136330 1.00 CNR2 (0.61) CNR2PSMB8PSMB5KMT2AALDH1A1
SCHEMBL6136486 0.85 HPGD (0.58) CNR2PSMB8PSMB5KMT2AALDH1A1
SCHEMBL6136490 0.85 HPGD (0.58) CNR2PSMB8PSMB5KMT2AALDH1A1
SCHEMBL2177216 0.84 POLB (0.63) CNR2PSMB8PSMB5KMT2AALDH1A1
SCHEMBL2177223 0.84 POLB (0.63) CNR2PSMB8PSMB5KMT2AALDH1A1
SCHEMBL18885276 0.84 CNR2 (0.67) CNR2PSMB8PSMB5KMT2AALDH1A1
SCHEMBL8035990 0.84 POLB (0.63) CNR2PSMB8PSMB5KMT2AALDH1A1
SCHEMBL6136711 0.83 THRA (0.46) CNR2ALDH1A1SHMT1SHMT2POLB
SCHEMBL6136706 0.83 THRA (0.46) CNR2ALDH1A1SHMT1SHMT2POLB
SCHEMBL6136504 0.83 L3MBTL1 (0.49) KMT2AALDH1A1LMNAL3MBTL1MEN1

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