SCHEMBL2247341

SCHEMBL2247341

NC(=O)CC[C@H](NC(=O)c1ccc(-c2ccco2)o1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 13/20 0.53
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
KMT2A Q03164 1/20 0.44
SUCNR1 Q9BXA5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2247335 0.86 C3AR1 (0.46) C3AR1SUCNR1
SCHEMBL2247803 0.85 C3AR1 (0.55) C3AR1CA2CA1KMT2ASUCNR1
SCHEMBL2247532 0.80 CA2 (0.58) C3AR1CA2CA1KMT2A
SCHEMBL2243871 0.80 C3AR1 (0.75) C3AR1SUCNR1
SCHEMBL2244829 0.80 S1PR4 (0.48) C3AR1CA2CA1KMT2AALDH1A1
SCHEMBL2245141 0.78 C3AR1 (0.61) C3AR1CA2CA1KMT2ASUCNR1
SCHEMBL2248654 0.78 TAS1R3 (0.53) C3AR1CA2CA1KMT2AALDH1A1
SCHEMBL3578207 0.77 MMP2 (0.46) CA2CA1KMT2AALDH1A1
SCHEMBL4621088 0.75 C3AR1 (0.46) C3AR1SUCNR1ALDH1A1
SCHEMBL10571826 0.73 NAALAD2 (0.57) CA2CA1KMT2AALDH1A1

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-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed