SCHEMBL6490367

SCHEMBL6490367

CC(C)(C)c1nc2ccccc2n1Cc1ccc(CNC2C[C@@]3(CCCO3)C[C@H]2C(=O)NO)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.47
ADAM17 P78536 2/20 0.47
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP7 P09237 3/20 0.41
MMP3 P08254 2/20 0.41
MMP10 P09238 2/20 0.41
MMP8 P22894 2/20 0.41

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
SCHEMBL6479009 0.89 MMP12 (0.58) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6489505 0.84 ADAM17 (0.60) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6491584 0.84 ADAM17 (0.60) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6489627 0.82 ADAM17 (0.68) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6480440 0.79 MMP2 (0.60) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6480002 0.77 MMP12 (0.60) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6492853 0.77 MMP2 (0.58) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6487834 0.77 MMP2 (0.55) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6490454 0.76 MMP2 (0.55) MMP12ADAM17ADAMTS4ADAMTS5MMP2
SCHEMBL6491200 0.76 MMP2 (0.55) MMP12ADAM17ADAMTS4ADAMTS5MMP2

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-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US claimed