SCHEMBL9854723

SCHEMBL9854723

CC(C)(C)OC(=O)N[C@H](CC=O)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.56
SYK P43405 1/20 0.53
CTSS P25774 4/20 0.53
CTSK P43235 5/20 0.51
PPARG P37231 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CACNA1B Q00975 2/20 0.50
ATM Q13315 1/20 0.50
ACE P12821 1/20 0.49
KLK7 P49862 2/20 0.48
KLK5 Q9Y337 2/20 0.48
TACR1 P25103 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL1093854 1.00 PPARA (0.56) PPARASYKCTSSCTSKPPARG
SCHEMBL30731784 1.00 PPARA (0.56) PPARASYKCTSSCTSKPPARG
SCHEMBL1093849 1.00 PPARA (0.56) PPARASYKCTSSCTSKPPARG
SCHEMBL186698 0.90 SYK (0.56) PPARASYKCTSSCTSKCTSL
SCHEMBL5060739 0.90 SYK (0.56) PPARASYKCTSSCTSKCTSL
SCHEMBL18526468 0.89 PPARA (0.55) PPARASYKCTSSCTSKPPARG
SCHEMBL24946320 0.88 PPARA (0.57) PPARASYKCTSSCTSKPPARG
SCHEMBL19400181 0.88 PPARA (0.57) PPARASYKCTSSCTSKPPARG
SCHEMBL27685348 0.88 PPARA (0.57) PPARASYKCTSSCTSKPPARG
SCHEMBL5343764 0.87 CACNA1B (0.61) PPARACTSSCTSKPPARGCACNA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786163-B2 Constrained cyano compounds Forest Laboratories Holdings Limited (BM) 2010-08-31 US disclosed
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed