SCHEMBL8919979

SCHEMBL8919979

CCC(O)C(CCl)C(Cc1ccc2ccccc2c1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.47
ACE P12821 4/20 0.47
CPA1 P15085 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
TACR1 P25103 1/20 0.43
CTSD P07339 2/20 0.42
FCER2 P06734 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
CCR1 P32246 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL8918692 0.85 TACR1 (0.46) MMEACECPA1ACE2TACR1
SCHEMBL8918697 0.85 TACR1 (0.46) MMEACECPA1ACE2TACR1
SCHEMBL8919984 0.79 MME (0.44) MMEACECPA1ACE2TACR1
SCHEMBL12805325 0.77 MME (0.51) MMEACECPA1ACE2TACR1
SCHEMBL7291154 0.76 HTR2A (0.41) MMEACECPA1ACE2TACR1
SCHEMBL22626791 0.72 TRPA1 (0.54) MMP8
SCHEMBL3628827 0.71 MME (0.56) MMEACECPA1ACE2TACR1
SCHEMBL8921872 0.71 CTSG (0.52) MMEACECPA1ACE2TACR1
SCHEMBL8921880 0.71 CTSG (0.52) MMEACECPA1ACE2TACR1
SCHEMBL8919989 0.71 PIN1 (0.41) MMEACECPA1ACE2TACR1

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-5652369-A PROTEASE INHIBITOR HOFFMANN-LA ROCHE INC. (US) 1997-07-29 US disclosed
US-5446161-A Protease inhibitor, viricides HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed