SCHEMBL7695352

SCHEMBL7695352

COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccc(OCCCONC(=N)N)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.49
ITGA2B P08514 6/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ITGAV P06756 3/20 0.46
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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 SCHEMBL7419764 0.96 CYP3A4 (0.47) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
SCHEMBL7421961 0.93 ITGB3 (0.53) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
SCHEMBL7411729 0.91 ITGB3 (0.53) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
SCHEMBL7412288 0.91 ITGB3 (0.48) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
SCHEMBL7412781 0.90 L3MBTL1 (0.53) ITGB3ITGA2BCYP2C19ITGAVPPARG
Trifluoroacetic Acid SCHEMBL7415172 0.89 ITGB3 (0.50) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
SCHEMBL7419767 0.87 CYP3A4 (0.44) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
Trifluoroacetic Acid SCHEMBL7414775 0.87 CYP3A4 (0.47) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
Trifluoroacetic Acid SCHEMBL7418891 0.87 ITGB3 (0.49) ITGB3ITGA2BCYP3A4CYP2C19ITGAV
SCHEMBL7693853 0.87 ITGB3 (0.51) ITGB3ITGA2BITGAVPPARGMMP2

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