SCHEMBL6896597

SCHEMBL6896597

CCOC(=O)CC(NS(=O)(=O)c1cccc(OC)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
ATM Q13315 2/20 0.48
POLB P06746 1/20 0.48
GRK2 P25098 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ITGAV P06756 2/20 0.47
ITGB3 P05106 1/20 0.47
MEP1B Q16820 1/20 0.46
EEF2K O00418 1/20 0.46
TP53 P04637 2/20 0.46
PGR P06401 1/20 0.45
KCNA5 P22460 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7194134 0.94 MAPT (0.59) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7145763 0.88 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6774065 0.87 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5878110 0.86 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL12317324 0.84 GAA (0.56) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3837360 0.83 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7146586 0.82 ALDH1A1 (0.73) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7410768 0.82 ITGB3 (0.54) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5878081 0.82 ITGB3 (0.54) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3834077 0.81 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1L3MBTL1

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-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 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