SCHEMBL2245137

SCHEMBL2245137

Cc1cc(C)cc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(N)=O)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 9/20 0.53
SLC9A1 P19634 1/20 0.48
HPGDS O60760 1/20 0.47
SUCNR1 Q9BXA5 4/20 0.44
MMP12 P39900 3/20 0.43
MMP2 P08253 2/20 0.42
MMP8 P22894 2/20 0.42
PTPN1 P18031 1/20 0.42
MMP13 P45452 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL2247800 0.87 HPGDS (0.52) C3AR1SLC9A1HPGDSSUCNR1MMP12
SCHEMBL2245141 0.86 C3AR1 (0.61) C3AR1SLC9A1SUCNR1CA1
SCHEMBL3581142 0.83 MMP2 (0.47) C3AR1MMP12MMP2MMP8MMP13
SCHEMBL2243866 0.81 C3AR1 (0.67) C3AR1SLC9A1HPGDSSUCNR1MMP12
SCHEMBL2246505 0.79 MMP12 (0.64) HPGDSMMP12MMP2MMP8PTPN1
SCHEMBL2247335 0.78 C3AR1 (0.46) C3AR1HPGDSSUCNR1MMP12MMP2
SCHEMBL2248650 0.77 LMNA (0.56) HPGDSMMP12MMP2MMP8PTPN1
SCHEMBL2244822 0.76 KDM4E (0.50) C3AR1HPGDSMMP12MMP2MMP8
SCHEMBL23091227 0.76 CYP1A2 (0.59) C3AR1SLC9A1SUCNR1MMP13
SCHEMBL2247358 0.73 ADAMTS5 (0.64) C3AR1SUCNR1MMP12MMP2MMP8

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