SCHEMBL7250698

SCHEMBL7250698

COc1cc(OC)nc(OC(C(=O)O)C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.82
EDNRA P25101 19/20 0.82
KMT2A Q03164 1/20 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
SCHEMBL7252235 0.94 EDNRB (0.89) EDNRBEDNRAKMT2A
SCHEMBL7246598 0.94 EDNRB (0.80) EDNRBEDNRA
SCHEMBL7245281 0.93 EDNRB (0.79) EDNRBEDNRA
SCHEMBL7245146 0.89 EDNRB (0.88) EDNRBEDNRAKMT2A
SCHEMBL7252229 0.88 EDNRB (1.00) EDNRBEDNRAKMT2A
SCHEMBL7245599 0.88 EDNRB (0.80) EDNRBEDNRAKMT2A
SCHEMBL7253898 0.88 EDNRB (0.86) EDNRBEDNRAKMT2A
SCHEMBL7247318 0.87 EDNRB (0.83) EDNRBEDNRAKMT2A
SCHEMBL7246411 0.87 EDNRB (1.00) EDNRBEDNRAKMT2A
SCHEMBL7071036 0.86 EDNRB (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670367-B1 Vasodilator; hypertension; surprisingly show antagonistic action on the neurokinin receptor; 2-(4-Methoxy-6-methyl-2-pyrimidinyloxy)-3-(2-(3,4- dimethoxyphenyl)ethoxy)-3,3-diphenylpropionic Acid ABBOTT GMBH & CO., KG (DE) 2003-12-30 US disclosed
EP-0929529-A2 AZINYLOXY, AND PHENOXY-DIARYL-CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS MIXED ET A?/ET B? ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998009953-A2 AZINYLOXY-AND PHENOXY-DIARYL-CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS MIXED ETA/ETB ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-12 WO disclosed