SCHEMBL7659711

SCHEMBL7659711

CCCOc1ccc2c(c1)C(OS(=O)(=O)F)=C(C(=O)O)[C@@]2(C)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EDNRB P24530 4/20 0.41
EDNRA P25101 4/20 0.41
CFTR P13569 1/20 0.40

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
SCHEMBL7748131 1.00 NPC1 (0.41) NPC1RAB9AEDNRBEDNRACFTR
SCHEMBL7653814 0.76 EDNRA (0.41) EDNRBEDNRA
SCHEMBL7660420 0.75 EDNRA (0.51) EDNRBEDNRA
SCHEMBL7923892 0.72 EDNRA (0.46) NPC1RAB9AEDNRBEDNRA
SCHEMBL7652006 0.70 EDNRA (0.50) EDNRBEDNRA
SCHEMBL7652001 0.70 EDNRA (0.50) EDNRBEDNRA
SCHEMBL8294001 0.68 EDNRA (0.44) NPC1RAB9AEDNRBEDNRACFTR
SCHEMBL8625561 0.68 EDNRA (0.47) EDNRBEDNRA
SCHEMBL984528 0.67 MAOB (0.68) NPC1RAB9AEDNRBEDNRA
SCHEMBL8624507 0.66 EDNRA (0.51) EDNRBEDNRACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355813-B1 INTERMEDIATES USEFUL IN PREPARING THESE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2002-03-12 US disclosed
EP-1019397-A4 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2001-01-17 EP disclosed
US-6143907-A 3-phenyl-1-methylenedioxyphenyl-indane-2-carboxylic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2000-11-07 US disclosed
EP-1019397-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-19 EP disclosed
WO-1997017341-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed