SCHEMBL13619247

SCHEMBL13619247

Cc1cc(C)c2cc1[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1cc(c(C)cc1C)[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1cc(c(C)cc1C)[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1cc(c(C)cc1C)[C@@H]2CC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
ACE P12821 7/20 0.47
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
ITGA4 P13612 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
REN P00797 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
F2 P00734 2/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 1/20 0.42
PEPD P12955 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL9538232 0.80 ALDH1A1 (0.48) ALDH1A1HPGDACEITGB3ITGB1
SCHEMBL6439668 0.78 F2 (0.62) ALDH1A1ACEITGB3ITGB1ITGAV
SCHEMBL6439663 0.78 F2 (0.62) ALDH1A1ACEITGB3ITGB1ITGAV
SCHEMBL9536140 0.77 ALDH1A1 (0.57) ALDH1A1HPGDACEITGB3ITGB1
SCHEMBL3183657 0.72 ACE (0.55) ALDH1A1HPGDACEKMT2A
SCHEMBL3183667 0.72 ACE (0.55) ALDH1A1HPGDACEKMT2A
SCHEMBL6039762 0.72 ACE (0.55) ALDH1A1HPGDACEKMT2A
SCHEMBL6786426 0.72 ACE (0.55) ALDH1A1HPGDACEKMT2A
SCHEMBL2448827 0.71 ACE (0.51) ALDH1A1ACEKMT2A
SCHEMBL6039476 0.71 ACE (0.51) ALDH1A1ACEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615543-B2 Complexes with C-reactive protein (CRP) molecules; rheumatoid arthritis, juvenile chronic (rheumatoid) arthritis, ankylosing spondylitis, psoriatic arthritis, systemic vasculitis, polymyalgia rheumatica, Reiter's disease, Crohn's disease and familial Mediterranean fever PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-11-10 US disclosed