SCHEMBL7796796

SCHEMBL7796796

CCC(C)C(N)C(=O)NC(CCc1ccccc1)C(=O)COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.43
MME P08473 5/20 0.43
CPA1 P15085 4/20 0.43
ACE2 Q9BYF1 4/20 0.43
CTSC P53634 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP1 P29466 1/20 0.41
CTSL P07711 2/20 0.40
IARS1 P41252 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
TSHR P16473 1/20 0.40
PLG P00747 1/20 0.39
MMP12 P39900 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL7133871 0.89 PLAU (0.40) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL7136265 0.85 MEN1 (0.48) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL7131866 0.84 CASP1 (0.46) CTSCCASP1CTSLCTSBCTSS
SCHEMBL7139496 0.83 HPGD (0.48) ACEMMECPA1ACE2SMN1; SMN2
Hydrochloric Acid SCHEMBL7140699 0.83 CASP1 (0.45) CTSCCASP1CTSLCTSBCTSS
SCHEMBL7136919 0.81 MEN1 (0.44) CASP1CTSLCTSBCTSS
SCHEMBL7138103 0.81 CTSS (0.51) CTSLCTSBCTSS
SCHEMBL7133678 0.81 CTSL (0.38) ACEMMECPA1ACE2SMN1; SMN2
SCHEMBL7139696 0.79 LNPEP (0.43) SMN1; SMN2CTSLCTSBCTSS
SCHEMBL7135424 0.79 LNPEP (0.41) ACEMMECPA1ACE2SMN1; SMN2

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-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed