SCHEMBL6685255

SCHEMBL6685255

CC(C)CC(C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C1=O

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.84
MMP2 P08253 6/20 0.84
MMP9 P14780 6/20 0.84
MMP3 P08254 5/20 0.84
MMP1 P03956 4/20 0.84
MMP7 P09237 4/20 0.84
MMP8 P22894 4/20 0.84
MMP13 P45452 4/20 0.84
MMP14 P50281 4/20 0.84
ADAM10 O14672 3/20 0.84
MMP15 P51511 1/20 0.56
MMP16 P51512 1/20 0.56
ADAM33 Q9BZ11 1/20 0.56

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
SCHEMBL4200584 0.96 ADAM17 (0.79) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4201360 0.96 ADAM17 (0.79) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4198933 0.96 ADAM17 (0.79) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4207403 0.96 ADAM17 (0.82) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4198018 0.96 ADAM17 (0.79) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4193379 0.95 ADAM17 (0.78) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4212176 0.94 ADAM17 (0.80) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4202190 0.94 ADAM17 (0.76) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4198049 0.94 ADAM17 (0.76) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4200085 0.94 ADAM17 (0.76) ADAM17MMP2MMP9MMP3MMP1

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 disclosed