SCHEMBL8626667

SCHEMBL8626667

CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CTSL P07711 2/20 0.48
PPARA Q07869 2/20 0.46
KLK7 P49862 4/20 0.45
KLK5 Q9Y337 3/20 0.45
CTSS P25774 3/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
PPARG P37231 1/20 0.42
CACNA1B Q00975 2/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL15149564 0.81 CYP3A4 (0.50) EPHX2CYP3A4TSHR
SCHEMBL19027635 0.80 SYK (0.50) SYKCTSLPPARAKLK7KLK5
SCHEMBL18431051 0.80 SYK (0.50) SYKCTSLPPARAKLK7KLK5
SCHEMBL5353977 0.79 KLK7 (0.54) SYKCTSLPPARAKLK7KLK5
SCHEMBL30252216 0.79 CYP3A4 (0.55) MAPTATMCYP3A4TSHR
SCHEMBL14768576 0.79 CTSL (0.51) SYKCTSLPPARAKLK7KLK5
SCHEMBL27978333 0.78 KMT2A (0.48) CTSSEPHX2CTSK
SCHEMBL15535916 0.78 KMT2A (0.48) CTSSEPHX2CTSK
SCHEMBL8299304 0.78 KMT2A (0.48) CTSSEPHX2CTSK
SCHEMBL31045519 0.76 CYP3A4 (0.52) ATMCYP3A4TSHR

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
EP-0560274-B1 Antiherpes peptide derivatives having a ureido N-terminus BOEHRINGER INGELHEIM CA LTD (CA) 1998-06-24 EP disclosed
EP-0560274-A1 Antiherpes peptide derivatives having a ureido N-terminus BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP disclosed