SCHEMBL6682240

SCHEMBL6682240

CC#CCN1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.84
ADAM17 P78536 2/20 0.84
MMP9 P14780 2/20 0.84
MMP3 P08254 1/20 0.84
MMP7 P09237 1/20 0.84
MMP10 P09238 1/20 0.84
MMP8 P22894 1/20 0.84
MMP12 P39900 1/20 0.84
MMP13 P45452 1/20 0.84
MMP14 P50281 1/20 0.84

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
SCHEMBL5897954 1.00 MMP2 (0.84) MMP2ADAM17MMP9MMP3MMP7
Trifluoroacetic Acid SCHEMBL5897820 0.96 MMP2 (0.78) MMP2ADAM17MMP9MMP3MMP7
SCHEMBL5898489 0.92 MMP2 (1.00) MMP2ADAM17MMP9MMP3MMP7
SCHEMBL6791356 0.90 ADAM17 (1.00) MMP2ADAM17MMP9MMP3MMP7
SCHEMBL5898157 0.88 MMP2 (0.82) MMP2ADAM17MMP9MMP3MMP7
SCHEMBL5898186 0.88 MMP2 (0.81) MMP2ADAM17MMP9MMP3MMP7
Trifluoroacetic Acid SCHEMBL5898080 0.88 MMP2 (0.91) MMP2ADAM17MMP9MMP3MMP7
SCHEMBL5898448 0.87 MMP2 (0.82) MMP2ADAM17MMP9MMP3MMP7
SCHEMBL5898220 0.87 MMP2 (0.80) MMP2ADAM17MMP9MMP3MMP7
SCHEMBL5897706 0.87 MMP2 (0.80) MMP2ADAM17MMP9MMP3MMP7

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