SCHEMBL6681213

SCHEMBL6681213

Cc1ccc2nc(C)cc(COc3ccc([C@]4(N)CCN(C(CC(C)C)C(=O)NO)C4=O)cc3)c2c1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.86
MMP3 P08254 8/20 0.86
MMP1 P03956 8/20 0.86
MMP2 P08253 7/20 0.86
MMP9 P14780 7/20 0.86
MMP7 P09237 4/20 0.86
MMP8 P22894 4/20 0.86
MMP13 P45452 4/20 0.86
MMP14 P50281 4/20 0.86
ADAM10 O14672 4/20 0.86
ADAM33 Q9BZ11 2/20 0.58
MMP15 P51511 1/20 0.58
MMP16 P51512 1/20 0.58

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
SCHEMBL1021287 0.93 ADAM17 (1.00) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL6350415 0.93 ADAM17 (1.00) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL29732231 0.93 ADAM17 (1.00) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL6350418 0.93 ADAM17 (1.00) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL6682217 0.90 ADAM17 (0.86) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL4207403 0.86 ADAM17 (0.82) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL4212176 0.85 ADAM17 (0.80) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL6685255 0.84 ADAM17 (0.84) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL6681788 0.84 ADAM17 (0.84) ADAM17MMP3MMP1MMP2MMP9
SCHEMBL4193352 0.83 ADAM17 (1.00) ADAM17MMP3MMP1MMP2MMP9

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
WO-2004060212-A1 ANTI-INFLAMMATORY COATING FOR IMPLANTABLE MEDICAL DEVICES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-22 WO claimed
WO-2004060212-A1 ANTI-INFLAMMATORY COATING FOR IMPLANTABLE MEDICAL DEVICES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-22 WO disclosed