SCHEMBL2245488

SCHEMBL2245488

NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.71
MMP12 P39900 4/20 0.71
MMP2 P08253 3/20 0.51
MMP8 P22894 3/20 0.51
MMP13 P45452 2/20 0.51
CA1 P00915 2/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
PTPN1 P18031 1/20 0.48
MMP10 P09238 1/20 0.48
MMP9 P14780 1/20 0.48
MMP14 P50281 1/20 0.48
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
CA2 P00918 2/20 0.47
HDAC1 Q13547 2/20 0.45

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
SCHEMBL2248314 0.91 HPGDS (0.68) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL2245494 0.86 HPGDS (0.65) HPGDSMMP12MMP2CA1CTSB
SCHEMBL2246054 0.85 MMP12 (0.76) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL2245321 0.85 MMP12 (0.76) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL3582721 0.82 HPGDS (0.61) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL2248624 0.81 MMP12 (0.64) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL28108803 0.80 HPGDS (0.69) HPGDSMMP12MMP2MMP8CA1
SCHEMBL10518630 0.80 HPGDS (0.69) HPGDSMMP12MMP2MMP8CA1
SCHEMBL2249740 0.80 MMP12 (0.66) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL2245223 0.80 HPGDS (0.55) HPGDSMMP12MMP2MMP8MMP13

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