SCHEMBL7653814

SCHEMBL7653814

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCc1ccccc1)=C(C(=O)O)[C@@]2(C)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.41
EDNRB P24530 4/20 0.41
MAOB P27338 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
SCHEMBL7534597 0.86 EDNRA (0.41) EDNRAEDNRB
SCHEMBL8627743 0.82 EDNRA (0.40) EDNRAEDNRB
SCHEMBL7814457 0.79 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7653068 0.78 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7659711 0.76 NPC1 (0.41) EDNRAEDNRB
SCHEMBL7748131 0.76 NPC1 (0.41) EDNRAEDNRB
SCHEMBL9543742 0.75 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7651503 0.75 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7651495 0.75 EDNRA (0.50) EDNRAEDNRB
SCHEMBL9543747 0.73 EDNRA (0.48) 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-6355813-B1 INTERMEDIATES USEFUL IN PREPARING THESE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2002-03-12 US disclosed