SCHEMBL2247803

SCHEMBL2247803

NC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 11/20 0.55
KMT2A Q03164 1/20 0.51
SUCNR1 Q9BXA5 5/20 0.51
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL2245141 0.87 C3AR1 (0.61) C3AR1KMT2ASUCNR1CA2CA1
SCHEMBL4621088 0.86 C3AR1 (0.46) C3AR1SUCNR1
SCHEMBL2247341 0.85 C3AR1 (0.53) C3AR1KMT2ASUCNR1CA2CA1
SCHEMBL2247800 0.85 HPGDS (0.52) C3AR1SUCNR1
SCHEMBL9989101 0.84 SUCNR1 (0.56) C3AR1SUCNR1
SCHEMBL9989105 0.84 SUCNR1 (0.56) C3AR1SUCNR1
SCHEMBL2243871 0.84 C3AR1 (0.75) C3AR1SUCNR1
SCHEMBL2244829 0.83 S1PR4 (0.48) C3AR1KMT2ACA2CA1
SCHEMBL2248654 0.82 TAS1R3 (0.53) C3AR1KMT2ACA2CA1
SCHEMBL26264278 0.81 SUCNR1 (0.72) C3AR1SUCNR1

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