SCHEMBL6773446

SCHEMBL6773446

C#CC[C@@H](CC(=O)O)NS(=O)(=O)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.39
EEF2K O00418 4/20 0.38
ITGB3 P05106 3/20 0.38
ITGAV P06756 3/20 0.38
PKM P14618 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MMP13 P45452 1/20 0.35
ATM Q13315 2/20 0.35
MMP2 P08253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5184113 0.83 NPSR1 (0.55) EEF2KITGB3ITGAVSLC1A3SLC1A2
SCHEMBL6778678 0.83 MEP1B (0.48) ITGB3ITGAVL3MBTL1
SCHEMBL6771000 0.78 ADAMTS4 (0.48) ADAMTS4EEF2KITGB3ITGAVMMP13
SCHEMBL6772863 0.75 EEF2K (0.66) EEF2KITGB3ITGAVATMALDH1A1
SCHEMBL6771004 0.69 ADAMTS4 (0.51) ADAMTS4MMP13MMP2L3MBTL1
SCHEMBL9866942 0.69 HTR2B (0.49) ADAMTS4PKMALDH1A1
SCHEMBL6772869 0.68 MMP2 (0.67) ADAMTS4MMP13MMP2ALDH1A1L3MBTL1
SCHEMBL13444457 0.68 PGR (0.44) ADAMTS4ITGB3ITGAVMMP13MMP2
SCHEMBL4347005 0.67 MMP13 (0.60) ADAMTS4MMP13MMP2
SCHEMBL4346999 0.67 MMP13 (0.60) ADAMTS4MMP13MMP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed