SCHEMBL7035447

SCHEMBL7035447

CCOC(=O)COCc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.49
MAOB P27338 7/20 0.48
GLA P06280 1/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOA P21397 3/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PPARG P37231 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
SCHEMBL23308028 0.86 PPARA (0.47) ALDH1A1HPGDPPARGPPARA
SCHEMBL3255549 0.85 KMT2A (0.51) MAOBIDO1MMP2MMP9MMP12
SCHEMBL10151747 0.85 MAOB (0.50) HCAR2MAOBGLAIDO1AGXT
SCHEMBL13791088 0.85 NLRP3 (0.47) HPGDPPARGPPARA
SCHEMBL27808992 0.84 GLA (0.58) HCAR2MAOBGLAIDO1AGXT
SCHEMBL3254928 0.82 MAOB (0.51) HCAR2MAOBGLAIDO1AGXT
SCHEMBL15874802 0.81 HRH3 (0.48) MAOBALDH1A1HPGDMAPT
SCHEMBL788672 0.81 EGFR (0.48) HCAR2MAOBGLAALDH1A1HPGD
SCHEMBL3254957 0.81 PPARA (0.52) MAOBIDO1AGXTMMP1MMP2
SCHEMBL30188545 0.81 MAOB (0.47) HCAR2MAOBGLAIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758243-B1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 2003-03-12 EP disclosed
EP-0758243-A4 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 1997-08-20 EP disclosed
US-5622937-A Compositions and methods of inhibiting the binding of E-selectin or P-selectin or sialyl-Lewisx or sialyl-Lewisa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-04-22 US disclosed
EP-0758243-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-02-19 EP disclosed
WO-1995029681-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE BINDING OF E-SELECTIN OR P-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 WO disclosed
WO-1995029682-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 WO disclosed
US-5444050-A Binding of E-selectin or P-selectin to sialyl Lewisx or sialyl-Lewisa TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-08-22 US disclosed