SCHEMBL7233044

SCHEMBL7233044

Cc1cc(COc2ccc([C@@]3(N)CCN(C4COC[C@@H]4C(=O)NO)C3=O)cc2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.62
MMP3 P08254 4/20 0.62
MMP2 P08253 4/20 0.61
MMP9 P14780 4/20 0.61
MMP1 P03956 2/20 0.61
MMP7 P09237 2/20 0.61
MMP8 P22894 2/20 0.61
MMP13 P45452 2/20 0.61
MMP14 P50281 2/20 0.61
ADAM10 O14672 1/20 0.61
MMP15 P51511 1/20 0.54
MMP16 P51512 1/20 0.54
ADAM33 Q9BZ11 1/20 0.54

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
SCHEMBL7233034 1.00 ADAM17 (0.62) ADAM17MMP3MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7229992 0.96 ADAM17 (0.58) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7232652 0.90 ADAM17 (0.65) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7240596 0.90 ADAM17 (0.65) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7232659 0.90 ADAM17 (0.65) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7239432 0.90 ADAM17 (0.65) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7240588 0.90 ADAM17 (0.65) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7239421 0.90 ADAM17 (0.65) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7240246 0.88 ADAM17 (0.64) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL7240253 0.88 ADAM17 (0.64) ADAM17MMP3MMP2MMP9MMP1

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
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed