SCHEMBL2247335

SCHEMBL2247335

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 10/20 0.46
HPGDS O60760 1/20 0.46
MMP12 P39900 3/20 0.42
SUCNR1 Q9BXA5 3/20 0.41
MMP2 P08253 2/20 0.41
MMP8 P22894 2/20 0.41
PTPN1 P18031 1/20 0.41
MMP13 P45452 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL2247341 0.86 C3AR1 (0.53) C3AR1SUCNR1
SCHEMBL2247800 0.85 HPGDS (0.52) C3AR1HPGDSMMP12SUCNR1MMP2
SCHEMBL3578207 0.84 MMP2 (0.46) MMP2
SCHEMBL2247526 0.80 MMP12 (0.58) HPGDSMMP12MMP2MMP8PTPN1
SCHEMBL2243866 0.80 C3AR1 (0.67) C3AR1HPGDSMMP12SUCNR1
SCHEMBL2244822 0.80 KDM4E (0.50) C3AR1HPGDSMMP12MMP2MMP8
SCHEMBL2245137 0.78 C3AR1 (0.53) C3AR1HPGDSMMP12SUCNR1MMP2
SCHEMBL2248650 0.78 LMNA (0.56) HPGDSMMP12MMP2MMP8PTPN1
SCHEMBL10571826 0.73 NAALAD2 (0.57)
SCHEMBL1605515 0.73 NAALAD2 (0.57)

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