SCHEMBL6089396

SCHEMBL6089396

N#CCOc1c(Cl)cc(Cl)cc1CBr

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL27486368 0.87 POLB (0.39) POLBALOX15HTTCYP1A2CYP2D6
SCHEMBL4849918 0.84 SCN4A (0.40) POLBALOX15HTTKMT2AMEN1
SCHEMBL6088663 0.83 POLB (0.43) POLBALOX15HTTCYP1A2CYP2D6
SCHEMBL6088610 0.81 GAA (0.45) POLBALOX15HTTCYP1A2CYP2C19
SCHEMBL6089771 0.72 NR4A2 (0.43) POLBALOX15HTT
SCHEMBL6087632 0.72 ORAI1 (0.48) POLBALOX15HTTCYP1A2KMT2A
SCHEMBL30400094 0.72 ORAI1 (0.48) POLBALOX15HTTCYP1A2KMT2A
SCHEMBL27498821 0.72 POLB (0.37) POLBALOX15HTTKMT2AMEN1
SCHEMBL4848408 0.69 SCN4A (0.47) POLBALOX15HTTKMT2AMEN1
SCHEMBL15129655 0.69 KDM4E (0.33) KMT2AMEN1SMN1; SMN2

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-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed