SCHEMBL6684728

SCHEMBL6684728

CC(C)CN(O)C(=O)CN1CC[C@@](N)(c2ccc(OCc3cc(Cl)nc4ccccc34)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.53
MMP2 P08253 6/20 0.53
MMP3 P08254 5/20 0.53
MMP9 P14780 5/20 0.53
MMP13 P45452 5/20 0.53
MMP1 P03956 4/20 0.53
MMP7 P09237 4/20 0.53
MMP8 P22894 4/20 0.53
MMP14 P50281 4/20 0.53
ADAM10 O14672 3/20 0.53
MMP15 P51511 1/20 0.46
MMP16 P51512 1/20 0.46
ADAM33 Q9BZ11 1/20 0.46

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
SCHEMBL6681197 0.92 ADAM17 (0.63) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL6685989 0.90 ADAM17 (0.52) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL6682617 0.84 ADAM17 (0.54) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL6686757 0.79 ADAM17 (0.60) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL6692496 0.78 ADAM17 (0.47) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL6692059 0.72 ADAM17 (0.67) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL7087215 0.72 ADAM17 (0.76) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL4196677 0.71 ADAM17 (0.66) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL4202064 0.70 ADAM17 (0.60) ADAM17MMP2MMP3MMP9MMP13
SCHEMBL13777102 0.70 ADAM17 (0.87) ADAM17MMP2MMP3MMP9MMP13

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