SCHEMBL7253680

SCHEMBL7253680

Cc1ccc(CCCOC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)cc(C)n2)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 1.00
EDNRA P25101 17/20 1.00
KMT2A Q03164 1/20 0.69
POLB P06746 2/20 0.63
RAB9A P51151 1/20 0.63
NR1I2 O75469 1/20 0.62
KCNE1 P15382 1/20 0.62
KCNQ1 P51787 1/20 0.62

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
SCHEMBL7252610 0.95 EDNRB (0.90) EDNRBEDNRAKMT2APOLBRAB9A
SCHEMBL7246781 0.93 EDNRB (0.86) EDNRBEDNRA
SCHEMBL27499036 0.92 EDNRB (0.85) EDNRBEDNRAKMT2APOLBRAB9A
SCHEMBL7250687 0.92 EDNRB (0.89) EDNRBEDNRAKMT2APOLBRAB9A
SCHEMBL7246411 0.88 EDNRB (1.00) EDNRBEDNRAKMT2APOLBRAB9A
SCHEMBL7247224 0.88 EDNRB (0.89) EDNRBEDNRAKMT2A
SCHEMBL7245599 0.87 EDNRB (0.80) EDNRBEDNRAKMT2A
SCHEMBL7245146 0.86 EDNRB (0.88) EDNRBEDNRAKMT2A
SCHEMBL7248184 0.86 EDNRB (0.90) EDNRBEDNRA
SCHEMBL7253872 0.86 EDNRB (0.75) EDNRBEDNRAKMT2APOLBRAB9A

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