SCHEMBL8915076

SCHEMBL8915076

NC(=O)N1CCNCC1.O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.59
MMP9 P14780 6/20 0.59
ADAMTS4 O75173 1/20 0.59
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MMP7 P09237 1/20 0.54
MMP13 P45452 1/20 0.54
POLB P06746 1/20 0.51
F2 P00734 1/20 0.51
F10 P00742 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL8913854 0.93 MMP2 (0.57) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL8913765 0.82 F2 (0.49) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL697591 0.82 MMP2 (0.85) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL697592 0.82 MMP2 (0.85) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL4188026 0.82 MMP2 (0.85) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL8915384 0.81 ADAMTS4 (0.54) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL8915081 0.81 MMP2 (0.56) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL8914454 0.80 P2RX7 (0.51) ITGB3ITGA2BF2F10PLG
SCHEMBL8915067 0.80 MMP2 (0.56) MMP2MMP9ADAMTS4MMP1MMP3
SCHEMBL6416586 0.75 MMP2 (0.70) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed