SCHEMBL8010952

SCHEMBL8010952

CCCOc1ccc2c(c1)[C@@H](OS(=O)(=O)F)C(C(=O)OC)C2c1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.63
EDNRB P24530 13/20 0.63
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8010951 1.00 EDNRA (0.63) EDNRAEDNRBNPC1RAB9A
SCHEMBL8080433 0.80 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8622974 0.80 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7665191 0.80 EDNRA (0.72) EDNRAEDNRB
SCHEMBL6951607 0.80 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8621781 0.80 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7531517 0.79 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8091942 0.78 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8008619 0.78 EDNRA (0.86) EDNRAEDNRB
SCHEMBL7945618 0.78 EDNRA (0.73) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143907-A 3-phenyl-1-methylenedioxyphenyl-indane-2-carboxylic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2000-11-07 US disclosed