SCHEMBL7417646

SCHEMBL7417646

N=C(N)NOCCCOc1ccc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.56
ADAMTS5 Q9UNA0 1/20 0.56
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
MMP9 P14780 5/20 0.48
ADAMTS4 O75173 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
ADAM17 P78536 1/20 0.46
KCNA5 P22460 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL7414429 0.95 MMP2 (0.52) MMP2ADAMTS5ITGB3ITGA2BMMP9
SCHEMBL7694797 0.91 ITGB3 (0.49) MMP2ADAMTS5ITGB3ITGA2BMMP9
SCHEMBL7420817 0.91 ITGB3 (0.56) MMP2ITGB3ITGA2BMMP9ADAMTS4
SCHEMBL7409585 0.91 ITGB3 (0.61) MMP2ITGB3ITGA2BMMP9ADAMTS4
SCHEMBL7411712 0.90 TDP1 (0.59) MMP2ITGB3ITGA2BMMP9ADAMTS4
SCHEMBL7409554 0.90 MMP2 (0.61) MMP2ADAMTS5ITGB3ITGA2BMMP9
SCHEMBL7412146 0.90 MMP2 (0.56) MMP2ITGB3ITGA2BMMP9ADAMTS4
SCHEMBL7410503 0.90 ITGB3 (0.52) MMP2ITGB3ITGA2BMMP9ADAMTS4
SCHEMBL7420563 0.90 MMP2 (0.61) MMP2ITGB3ITGA2BMMP9ADAMTS4
SCHEMBL7415221 0.90 ITGB3 (0.53) MMP2ITGB3ITGA2BMMP9ADAMTS4

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-6344484-B1 TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US claimed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed