SCHEMBL2243871

SCHEMBL2243871

CCOc1cccc(-c2ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)o2)c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 8/20 0.75
SUCNR1 Q9BXA5 6/20 0.59
BMP1 P13497 1/20 0.51
PRSS1 P07477 1/20 0.46
TMPRSS15 P98073 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC9A1 P19634 1/20 0.44

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
SCHEMBL2243866 0.88 C3AR1 (0.67) C3AR1SUCNR1BMP1PRSS1TMPRSS15
SCHEMBL2247803 0.84 C3AR1 (0.55) C3AR1SUCNR1
SCHEMBL2246549 0.82 RXRA (0.58) C3AR1PRSS1
SCHEMBL2245141 0.81 C3AR1 (0.61) C3AR1SUCNR1SLC9A1
SCHEMBL3581169 0.80 C3AR1 (0.57) C3AR1SUCNR1BMP1
SCHEMBL2247341 0.80 C3AR1 (0.53) C3AR1SUCNR1
SCHEMBL18252676 0.77 C3AR1 (0.57) C3AR1SUCNR1BMP1SLC9A1
SCHEMBL26263253 0.76 SUCNR1 (0.83) C3AR1SUCNR1
SCHEMBL26264369 0.75 SUCNR1 (1.00) C3AR1SUCNR1PRSS1TMPRSS15
SCHEMBL2246916 0.74 CA2 (0.58) SUCNR1

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