SCHEMBL5035337

SCHEMBL5035337

COc1c(C)cc(C2=CCNC(C(=O)C3NCC4(CC4)CC3C(=O)NO)C2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.48
MMP2 P08253 16/20 0.48
MMP3 P08254 5/20 0.47
MMP9 P14780 10/20 0.45
MMP1 P03956 3/20 0.44
ERBB2 P04626 7/20 0.42

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
SCHEMBL5044734 0.88 ADAM10 (0.61) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5039619 0.88 ADAM10 (0.61) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5038686 0.87 ADAM10 (0.63) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5038505 0.87 ADAM10 (0.63) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5039649 0.84 ADAM10 (0.64) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5038844 0.84 ADAM10 (0.60) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5044852 0.84 ADAM10 (0.61) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5038829 0.83 ADAM10 (0.49) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5038217 0.83 ADAM10 (0.47) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL5042911 0.83 ADAM10 (0.63) ADAM10MMP2MMP3MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP claimed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP claimed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO claimed