SCHEMBL4542969

SCHEMBL4542969

NCC[C@@H](NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
BMP1 P13497 1/20 0.41
MMP1 P03956 4/20 0.41
ADAM17 P78536 4/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS1 Q9UHI8 1/20 0.41
ADAMTS7 Q9UKP4 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP14 P50281 3/20 0.40
ADAM10 O14672 2/20 0.40
ADAM8 P78325 2/20 0.40
MMP12 P39900 1/20 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
SCHEMBL13923480 0.94 BMP1 (0.44) MMP13BMP1MMP1ADAM17ADAMTS4
SCHEMBL4371521 0.88 UTS2R (0.41) MMP13BMP1MMP1ADAM17ADAMTS4
SCHEMBL1800584 0.86 ADAM17 (0.49) BMP1MMP1ADAM17ADAMTS4ADAMTS1
SCHEMBL1802731 0.85 ADAMTS7 (0.44) MMP13MMP1ADAMTS7ADAMTS5
SCHEMBL1802730 0.85 ADAMTS7 (0.44) MMP13MMP1ADAMTS7ADAMTS5
SCHEMBL13923481 0.83 MMP2 (0.49) MMP13ADAMTS5MMP2MMP9
SCHEMBL13791856 0.83 BMP1 (0.48) BMP1MMP1ADAM17ADAMTS4ADAMTS1
SCHEMBL13923478 0.82 LMNA (0.39) BMP1MMP2MMP9
SCHEMBL1799334 0.78 ADAM17 (0.50) BMP1MMP1ADAM17ADAMTS4ADAMTS1
SCHEMBL14470899 0.78 ADAM17 (0.50) BMP1MMP1ADAM17ADAMTS4ADAMTS1

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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed