SCHEMBL7749794

SCHEMBL7749794

CCC(C)S(=O)(=O)NC(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
ADAMTS4 O75173 1/20 0.39
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CA14 Q9ULX7 1/20 0.33
GCLC P48506 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL6172887 0.76 CHRM1 (0.40) MMEACECPA1ACE2ADAMTS4
SCHEMBL2435695 0.76 ADAMTS4 (0.42) MMEACECPA1ACE2ADAMTS4
SCHEMBL26870066 0.75 GRIA1 (0.31)
SCHEMBL2554677 0.71 ALDH1A1 (0.33) MMP1MMP2MMP3ALDH1A1
SCHEMBL18047580 0.70 ADAMTS4 (0.44) MMEACECPA1ACE2ADAMTS4
SCHEMBL5148621 0.70 ADAMTS4 (0.44) MMEACECPA1ACE2ADAMTS4
SCHEMBL697449 0.70 ADAMTS4 (0.44) MMEACECPA1ACE2ADAMTS4
SCHEMBL725182 0.70 ADAMTS4 (0.44) MMEACECPA1ACE2ADAMTS4
SCHEMBL29633569 0.70 ADAMTS4 (0.44) MMEACECPA1ACE2ADAMTS4
SCHEMBL697448 0.70 ADAMTS4 (0.44) MMEACECPA1ACE2ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844874-A4 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF ALPHA v BETA 5 MEDIATED ANGIOGENESIS SCRIPPS RESEARCH INST (US) 2001-02-14 EP disclosed
EP-0844874-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF $g(a) v?$g(b) 5? MEDIATED ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-03 EP disclosed
WO-1997006791-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-02-27 WO disclosed