SCHEMBL6136454

SCHEMBL6136454

CC(NC(=O)Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
TDP1 Q9NUW8 1/20 0.57
ATM Q13315 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
PTGER4 P35408 1/20 0.53
POLB P06746 1/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
ALDH1A1 P00352 1/20 0.51
PIN1 Q13526 1/20 0.50
PTPN1 P18031 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50

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
SCHEMBL6136455 1.00 LMNA (0.62) LMNATDP1ATMMEN1KMT2A
SCHEMBL2752797 0.86 ATM (0.60) LMNATDP1ATMMEN1KMT2A
SCHEMBL16312242 0.86 LMNA (0.54) LMNATDP1ATMMEN1KMT2A
SCHEMBL4552052 0.82 LMNA (0.57) LMNATDP1ATMMEN1KMT2A
SCHEMBL6136505 0.82 LMNA (0.57) LMNATDP1ATMMEN1KMT2A
SCHEMBL15741913 0.82 KMT2A (0.63) LMNATDP1ATMMEN1KMT2A
SCHEMBL9852754 0.81 PIN1 (0.57) LMNATDP1ATMMEN1KMT2A
SCHEMBL27514936 0.81 LMNA (0.55) LMNATDP1ATMMEN1KMT2A
SCHEMBL14398815 0.81 KMT2A (0.69) LMNATDP1ATMMEN1KMT2A
SCHEMBL5967011 0.80 LMNA (0.56) LMNAMEN1KMT2ASMN1; SMN2KDM4E

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