SCHEMBL7804193

SCHEMBL7804193

COc1ccc(C2C(C(=O)O)=C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAOA P21397 1/20 0.40
PTGS2 P35354 1/20 0.40
EDNRA P25101 3/20 0.39
EDNRB P24530 2/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
TSHR P16473 1/20 0.37

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
SCHEMBL7813186 1.00 PREP (0.41) PREPHSP90AA1HSP90AB1NPC1TP53
SCHEMBL8626850 0.87 ALDH1A1 (0.47) PREPHSP90AA1NPC1TP53MAPT
SCHEMBL7531421 0.85 NPC1 (0.50) HSP90AA1HSP90AB1NPC1TP53MAPT
SCHEMBL7533184 0.79 PREP (0.41) PREPHSP90AA1HSP90AB1SMN1; SMN2EDNRA
SCHEMBL7531484 0.76 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7534053 0.74 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7533889 0.74 EDNRB (0.38) EDNRAEDNRB
SCHEMBL8620425 0.73 ALDH1A1 (0.54) HSP90AA1NPC1TP53MAPTRAB9A
SCHEMBL1389126 0.72 FGFR1 (0.42) HSP90AA1HSP90AB1TP53MAPTSMN1; SMN2
SCHEMBL7534517 0.71 PREP (0.39) PREPHSP90AA1HSP90AB1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP disclosed
US-6274737-B1 CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-08-14 US disclosed
US-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
US-6087389-A TREATING CARDIOVASCULAR AND RENAL DISEASES INCLUDING HYPERTENSION, ACUTE AND CHRONIC RENAL FAILURE, CYCLOSPORINE INDUCED NEPHROTOXICITY, STROKE, CEREBROVASCULAR VASOSPASM, MYOCARDIAL ISCHEMIA, ANGINA, HEART FAILURE, ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-11 US disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5716984-A INDANE AND INDENE DERIVATIVES; TREATMENT OF CARDIOVASCULAR DISORDERS, KIDNEY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US disclosed
EP-0612244-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1995-05-17 EP disclosed
EP-0612244-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-08-31 EP disclosed
WO-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed