SCHEMBL7253290

SCHEMBL7253290

CC(C)Oc1ccc([C@@]2(C)CCN(C(C)C(=O)NO)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.80
MMP9 P14780 12/20 0.80
MMP1 P03956 9/20 0.80
ADAM17 P78536 9/20 0.76
MMP13 P45452 2/20 0.57
MMP14 P50281 2/20 0.57
MMP3 P08254 1/20 0.57
MMP7 P09237 1/20 0.57
MMP8 P22894 1/20 0.57
MMP15 P51511 1/20 0.57
MMP16 P51512 1/20 0.57
ADAM33 Q9BZ11 1/20 0.57
TDP1 Q9NUW8 1/20 0.38
MDM2 Q00987 1/20 0.37

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
SCHEMBL6629464 1.00 MMP2 (0.80) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL6628418 0.89 MMP9 (1.00) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL7247215 0.87 MMP2 (0.71) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL6627898 0.86 ADAM17 (1.00) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL6628726 0.86 ADAM17 (0.83) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL6629466 0.85 MMP9 (0.79) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL6628207 0.85 MMP2 (0.79) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL6628071 0.84 MMP2 (1.00) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL7243883 0.83 ADAM17 (0.90) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL6626648 0.82 MMP2 (1.00) MMP2MMP9MMP1ADAM17MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed