SCHEMBL8100747

SCHEMBL8100747

COc1cc(OC)nc(OC(C(=O)O)C(C)(OCc2ccccc2)c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.67
EDNRA P25101 19/20 0.67

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
SCHEMBL8200442 0.91 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8113638 0.83 EDNRB (0.77) EDNRBEDNRA
SCHEMBL6776490 0.81 EDNRB (0.76) EDNRBEDNRA
SCHEMBL9369015 0.81 EDNRB (0.76) EDNRBEDNRA
SCHEMBL7250698 0.79 EDNRB (0.82) EDNRBEDNRA
SCHEMBL6712225 0.79 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7071036 0.78 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6776058 0.78 EDNRB (0.71) EDNRBEDNRA
SCHEMBL12228356 0.78 EDNRB (0.71) EDNRBEDNRA
SCHEMBL6712034 0.78 EDNRB (0.61) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-5703017-A HERBICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed