SCHEMBL2249553

SCHEMBL2249553

NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.67
PTPN1 P18031 1/20 0.62
HPGDS O60760 4/20 0.61
ADAMTS4 O75173 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.53
UTS2R Q9UKP6 5/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CCKBR P32239 1/20 0.48

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
SCHEMBL2245321 0.90 MMP12 (0.76) MMP12PTPN1HPGDSADAMTS4ADAMTS5
SCHEMBL2246054 0.90 MMP12 (0.76) MMP12PTPN1HPGDSADAMTS4ADAMTS5
SCHEMBL2248588 0.86 MMP12 (0.57) MMP12PTPN1HPGDSADAMTS4CTSL
SCHEMBL2249558 0.86 CA2 (0.58) MMP12PTPN1HPGDSUTS2RCA1
SCHEMBL2248730 0.84 HPGDS (0.83) MMP12PTPN1HPGDSADAMTS4ADAMTS5
SCHEMBL3584960 0.83 CTSL (0.55) MMP12ADAMTS4ADAMTS5CTSLCTSB
SCHEMBL10518630 0.83 HPGDS (0.69) MMP12PTPN1HPGDSADAMTS4ADAMTS5
SCHEMBL28108803 0.83 HPGDS (0.69) MMP12PTPN1HPGDSADAMTS4ADAMTS5
SCHEMBL2252391 0.82 MMP12 (0.66) MMP12PTPN1HPGDSADAMTS4ADAMTS5
SCHEMBL2245606 0.82 MMP12 (0.65) MMP12PTPN1HPGDSADAMTS4ADAMTS5

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