SCHEMBL7700410

SCHEMBL7700410

Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](Cc1ccc(OCCCONC(=N)N)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.50
ITGA2B P08514 9/20 0.50
ITGB1 P05556 4/20 0.47
ITGA5 P08648 4/20 0.47
PPARG P37231 2/20 0.43
ITGAV P06756 2/20 0.42
HTT P42858 1/20 0.42
TYMS P04818 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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 SCHEMBL7414437 0.96 ITGB3 (0.47) ITGB3ITGA2BITGB1ITGA5PPARG
SCHEMBL7421304 0.91 ITGB3 (0.49) ITGB3ITGA2BITGB1ITGA5PPARG
SCHEMBL7409546 0.91 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA5PPARG
SCHEMBL7423110 0.89 ITGB3 (0.48) ITGB3ITGA2BITGB1ITGA5PPARG
SCHEMBL7418686 0.88 ITGB1 (0.51) ITGB3ITGA2BITGB1ITGA5PPARG
Trifluoroacetic Acid SCHEMBL7417323 0.87 ITGB1 (0.47) ITGB3ITGA2BITGB1ITGA5PPARG
SCHEMBL7414443 0.87 ITGB1 (0.39) ITGB3ITGA2BITGB1ITGA5PPARG
Trifluoroacetic Acid SCHEMBL7415114 0.87 ITGB3 (0.47) ITGB3ITGA2BITGB1ITGA5PPARG
SCHEMBL7410553 0.86 ITGB3 (0.50) ITGB3ITGA2BITGB1ITGA5PPARG
SCHEMBL7411715 0.85 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA5PPARG

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