SCHEMBL8113644

SCHEMBL8113644

COc1cc(OC)nc(C(C(=O)O)C(CO)(Oc2ccccc2)c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.54
EDNRA P25101 19/20 0.54
KIF11 P52732 1/20 0.37

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
SCHEMBL8109665 0.92 EDNRB (0.48) EDNRBEDNRAKIF11
SCHEMBL8100753 0.85 EDNRB (0.49) EDNRBEDNRA
SCHEMBL8115419 0.74 EDNRB (0.48) EDNRBEDNRAKIF11
SCHEMBL9407606 0.73 EDNRB (0.40) EDNRBEDNRA
SCHEMBL8113638 0.69 EDNRB (0.77) EDNRBEDNRA
SCHEMBL12228356 0.68 EDNRB (0.71) EDNRBEDNRA
SCHEMBL9879365 0.67 EDNRB (0.48) EDNRBEDNRA
SCHEMBL8109657 0.65 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8109239 0.64 EDNRB (0.57) EDNRBEDNRA
SCHEMBL9701160 0.64 EDNRB (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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