SCHEMBL7952779

SCHEMBL7952779

CCCCCC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.95

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
SCHEMBL7651317 0.84 EDNRB (0.77) EDNRB
SCHEMBL7952334 0.84 EDNRB (0.73) EDNRB
SCHEMBL7951952 0.84 EDNRB (0.73) EDNRB
SCHEMBL7950749 0.83 EDNRB (0.73) EDNRB
SCHEMBL7954475 0.82 EDNRB (0.71) EDNRB
SCHEMBL7943851 0.81 EDNRB (0.76) EDNRB
SCHEMBL7943804 0.80 EDNRB (0.87) EDNRB
SCHEMBL7943835 0.79 EDNRB (0.67) EDNRB
SCHEMBL7956965 0.79 EDNRB (0.78) EDNRB
SCHEMBL7943809 0.78 EDNRB (1.00) EDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 US disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed