SCHEMBL6682028

SCHEMBL6682028

CC(C)CC(C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3ccc4ccccc4n3)cc2)C1=O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.74
MMP2 P08253 6/20 0.74
MMP9 P14780 6/20 0.74
MMP3 P08254 5/20 0.74
MMP1 P03956 4/20 0.74
MMP7 P09237 4/20 0.74
MMP8 P22894 4/20 0.74
MMP13 P45452 4/20 0.74
MMP14 P50281 4/20 0.74
ADAM10 O14672 3/20 0.74
MMP15 P51511 1/20 0.46
MMP16 P51512 1/20 0.46
ADAM33 Q9BZ11 1/20 0.46
ALOX5AP P20292 4/20 0.45
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
ALOX5 P09917 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8282217 0.85 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4197995 0.84 ADAM17 (0.88) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6685079 0.84 ADAM17 (0.79) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6350418 0.84 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6350415 0.84 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL1021287 0.84 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4205891 0.83 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6685255 0.82 ADAM17 (0.84) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6681788 0.82 ADAM17 (0.84) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4203684 0.81 ADAM17 (0.69) 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 claimed