SCHEMBL5038829

SCHEMBL5038829

COc1ccc(C)c(C2=CCNC(C(=O)[C@H]3NCC4(CC4)C[C@@H]3C(=O)NO)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.49
MMP2 P08253 15/20 0.49
MMP9 P14780 10/20 0.49
ERBB2 P04626 7/20 0.42
MMP3 P08254 5/20 0.42
MMP1 P03956 3/20 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
SCHEMBL5038217 0.87 ADAM10 (0.47) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5038730 0.86 ADAM10 (0.48) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039649 0.85 ADAM10 (0.64) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5035337 0.83 ADAM10 (0.48) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5040195 0.81 ADAM10 (0.47) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039619 0.80 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5044734 0.80 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL1363774 0.78 ADAM10 (0.75) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL1363752 0.78 ADAM10 (0.75) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL6023831 0.78 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3

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 disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed