SCHEMBL7955161

SCHEMBL7955161

COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCN(C)C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 1.00
EDNRB P24530 9/20 0.82

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
SCHEMBL7956457 0.96 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7959898 0.95 EDNRA (0.91) EDNRAEDNRB
SCHEMBL7945850 0.94 EDNRA (0.88) EDNRAEDNRB
Pd-156707 SCHEMBL30708648 0.91 EDNRA (1.00) EDNRAEDNRB
Pd-156707 SCHEMBL4178950 0.91 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7945992 0.91 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7953821 0.90 EDNRA (0.88) EDNRAEDNRB
SCHEMBL7955213 0.90 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7954340 0.89 EDNRA (0.87) EDNRAEDNRB
SCHEMBL7956513 0.89 EDNRA (0.87) 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-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US disclosed