SCHEMBL10980321

SCHEMBL10980321

C[C@@H](/C=C/c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.47
PPARG P37231 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
CTSK P43235 5/20 0.44
CTSS P25774 3/20 0.44
ACE P12821 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PPARD Q03181 2/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
EGFR P00533 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9058208 1.00 PPARA (0.47) PPARAPPARGTDP1ATMCTSK
SCHEMBL10973888 1.00 PPARA (0.47) PPARAPPARGTDP1ATMCTSK
SCHEMBL9059145 0.83 PPARA (0.47) PPARAPPARG
SCHEMBL8550161 0.81 TDP1 (0.50) PPARAPPARGTDP1ATMCTSK
SCHEMBL8550157 0.81 TDP1 (0.50) PPARAPPARGTDP1ATMCTSK
SCHEMBL8613012 0.81 TDP1 (0.50) PPARAPPARGTDP1ATMCTSK
SCHEMBL8550164 0.81 TDP1 (0.50) PPARAPPARGTDP1ATMCTSK
SCHEMBL10771726 0.81 CTSL (0.41) PPARAPPARGATMCTSKCTSS
SCHEMBL10771722 0.81 CTSL (0.41) PPARAPPARGATMCTSKCTSS
SCHEMBL8349897 0.80 CTSK (0.52) PPARAPPARGATMCTSKCTSS

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
US-4533657-A Analgesic dipeptide amides and method of use and composition thereof STERLING DRUG INC. (US) 1985-08-06 US disclosed