SCHEMBL7694499

SCHEMBL7694499

CC1(C)C2CC[C@@]1(CS(=O)(=O)N[C@@H](Cc1ccc(OCCCONC(=N)N)cc1)C(=O)O)C(=O)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGAV P06756 4/20 0.53
F10 P00742 1/20 0.51
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA5A P35218 4/20 0.44
CA5B Q9Y2D0 4/20 0.44
ITGA2B P08514 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLG P00747 2/20 0.43
F12 P00748 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43

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
SCHEMBL7698171 1.00 ITGB3 (0.53) ITGB3ITGAVF10MMP1MMP2
Trifluoroacetic Acid SCHEMBL7695123 0.96 ITGB3 (0.50) ITGB3ITGAVF10MMP1MMP2
Trifluoroacetic Acid SCHEMBL7699173 0.96 ITGB3 (0.50) ITGB3ITGAVF10MMP1MMP2
SCHEMBL7455662 0.89 ITGB3 (0.52) ITGB3ITGAVF10MMP1MMP2
SCHEMBL7455657 0.89 ITGB3 (0.52) ITGB3ITGAVF10MMP1MMP2
SCHEMBL7455533 0.89 ITGB3 (0.51) ITGB3ITGAVF10MMP1MMP2
SCHEMBL7455523 0.89 ITGB3 (0.51) ITGB3ITGAVF10MMP1MMP2
SCHEMBL7462968 0.82 F10 (0.48) ITGB3ITGAVF10MMP1MMP2
SCHEMBL7465932 0.82 F10 (0.48) ITGB3ITGAVF10MMP1MMP2
SCHEMBL7456479 0.82 F10 (0.47) ITGB3ITGAVF10MMP1MMP2

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-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