SCHEMBL7362946

SCHEMBL7362946

CC(C)(Cc1ccccc1B(O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 2/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
PPARA Q07869 4/20 0.36
LIPE Q05469 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL15983796 0.85 LMNA (0.49) LMNAKDM4EL3MBTL1HIF1ACYP2C19
SCHEMBL15698123 0.79 LIPG (0.50) LIPGHIF1ACYP2C19LIPE
SCHEMBL4458475 0.78 KDM4E (0.51) LMNAKDM4EL3MBTL1POLBPTGES2
SCHEMBL1114878 0.78 AKR1B1 (0.53) LMNAKDM4EL3MBTL1HIF1APOLB
SCHEMBL1686166 0.77 ALDH1A1 (0.44) LIPGLIPE
SCHEMBL9565762 0.76 RIPK1 (0.51) LMNAKDM4EL3MBTL1POLBSLC22A12
SCHEMBL17931647 0.76 RIPK1 (0.51) LMNAKDM4EL3MBTL1HIF1ACYP2C19
SCHEMBL29836734 0.76 RIPK1 (0.51) LMNAKDM4EL3MBTL1POLBSLC22A12
SCHEMBL410387 0.76 LIPG (0.61) LIPGPOLBLIPE
SCHEMBL29468961 0.76 LIPG (0.61) LIPGPOLBLIPE

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-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP disclosed
EP-0749964-B1 N-Heterocyclyl biphenyl sulfonamides ASTRAZENECA AB (SE) 2001-10-04 EP disclosed
US-6258817-B1 PRODRUGS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS ZENECA LTD. (GB) 2001-07-10 US disclosed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
US-5668137-A N-heterocyclic sulfonamides having endothelin receptor activity ZENECA LTD. (GB) 1997-09-16 US disclosed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed