SCHEMBL6681285

SCHEMBL6681285

CN[C@@]1(c2ccc(OCc3cc(C)nc4ccccc34)cc2)CCN(C(CC(C)C)C(=O)NO)C1=O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.80
MMP2 P08253 7/20 0.80
MMP3 P08254 6/20 0.80
MMP9 P14780 6/20 0.80
MMP1 P03956 6/20 0.80
MMP7 P09237 4/20 0.80
MMP8 P22894 4/20 0.80
MMP13 P45452 4/20 0.80
MMP14 P50281 4/20 0.80
ADAM10 O14672 4/20 0.80
ADAM33 Q9BZ11 2/20 0.67
MMP15 P51511 1/20 0.67
MMP16 P51512 1/20 0.67

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
SCHEMBL6629932 1.00 ADAM17 (0.80) ADAM17MMP2MMP3MMP9MMP1
Trifluoroacetic Acid SCHEMBL6628784 0.96 ADAM17 (0.74) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL1021287 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6350415 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL29732231 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6350418 0.89 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6681213 0.81 ADAM17 (0.86) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL2834283 0.80 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL5966106 0.80 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1
SCHEMBL6692506 0.80 ADAM17 (1.00) ADAM17MMP2MMP3MMP9MMP1

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