SCHEMBL4843386

SCHEMBL4843386

Cc1cccc(CBr)c1OCC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 8/20 0.39
SCN8A Q9UQD0 5/20 0.39
LMNA P02545 2/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
NFKB1 P19838 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNK3 O14649 1/20 0.39
CACNA1F O60840 1/20 0.39
KCNK2 O95069 1/20 0.39
GBA1 P04062 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL7464494 0.89 PTGER4 (0.33) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL27499107 0.87 PTGER4 (0.36) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL1825131 0.84 SCN4A (0.47) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL4848836 0.83 TSHR (0.37) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL6088358 0.80 BCHE (0.38)
SCHEMBL6089172 0.80 NAMPT (0.35) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14213260 0.76 ALDH1A1 (0.35) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL23491315 0.76 TSHR (0.48) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL9921644 0.76 SCN8A (0.40) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL27484684 0.75 SLC22A12 (0.40) PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
EP-1177176-B1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA GMBH (DE) 2006-04-19 EP disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed