SCHEMBL6082944

SCHEMBL6082944

COC(=O)c1cccc(-c2ccccc2OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.60
ERN1 O75460 2/20 0.54
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR7 P34969 1/20 0.52
PTPN5 P54829 1/20 0.51
PDK2 Q15119 1/20 0.51
NPC1 O15118 1/20 0.51
AXL P30530 1/20 0.51
TSHR P16473 1/20 0.50
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL12844713 0.88 ERN1 (0.52) KAT6AERN1RAB9AMEN1MAPT
SCHEMBL3508583 0.87 POLB (0.55) KAT6AERN1RAB9AMEN1MAPT
SCHEMBL14898316 0.87 ERN1 (0.51) KAT6AERN1RAB9AMEN1MAPT
SCHEMBL417159 0.86 KAT6A (0.61) KAT6AERN1RAB9AHTR7PTPN5
SCHEMBL28755028 0.85 TSHR (0.60) ERN1RAB9APDK2NPC1AXL
SCHEMBL3861503 0.84 KAT6A (0.56) KAT6AERN1HTR7PTPN5
SCHEMBL17799599 0.84 KAT6A (0.63) KAT6AERN1RAB9APTPN5NPC1
Methane SCHEMBL28667111 0.84 TSHR (0.58) ERN1RAB9APDK2NPC1AXL
SCHEMBL4174870 0.84 CYP1A2 (0.67) ERN1RAB9AMEN1KMT2ANPC1
SCHEMBL31091678 0.84 ERN1 (0.51) ERN1RAB9AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
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
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US 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
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 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
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed