SCHEMBL7103949

SCHEMBL7103949

O=CC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ABCC4 O15439 1/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.64
PTGS1 P23219 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 4/20 0.51
FFAR1 O14842 2/20 0.50
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
SRD5A2 P31213 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
BCHE P06276 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL25169 0.87 CES1 (0.58) LMNAABCC4GAATSHRPTGS1
Bicarbonate SCHEMBL10938525 0.85 CES1 (0.56) LMNAABCC4GAATSHRPTGS1
SCHEMBL12836715 0.82 LMNA (0.62) LMNAABCC4GAATSHRPTGS1
Felbinac SCHEMBL26084 0.79 LMNA (1.00) LMNAABCC4GAATSHRPTGS1
SCHEMBL11879591 0.79 LMNA (0.75) LMNAABCC4GAATSHRPTGS1
SCHEMBL23666036 0.78 LMNA (0.56) LMNAABCC4GAATSHRPTGS1
SCHEMBL15309802 0.78 ALDH1A1 (0.52) GAATSHRPTGS1KMT2AMEN1
Felbinac SCHEMBL384892 0.77 LMNA (0.95) LMNAABCC4GAATSHRPTGS1
SCHEMBL7410335 0.77 LMNA (0.72) LMNAABCC4GAATSHRPTGS1
Felbinac SCHEMBL8844919 0.77 LMNA (0.95) LMNAABCC4GAATSHRPTGS1

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
WO-2003097664-A2 NON-COVALENT INHIBITORS OF CYSTEINE PROTEASES WITH ATRIPEPTIDE BACKBONE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2003-11-27 WO disclosed