SCHEMBL5873689

SCHEMBL5873689

Cn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(OCCCCC(=O)O)cc2)cc1.Cn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(Oc3ccc(C(=O)O)c(Br)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.37
ALB P02768 1/20 0.37
FFAR1 O14842 6/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
AGER Q15109 1/20 0.37
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
FFAR4 Q5NUL3 7/20 0.35
DHODH Q02127 1/20 0.35
LTA4H P09960 1/20 0.34
HDAC3 O15379 1/20 0.33
STAT3 P40763 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL1481169 0.91 DHODH (0.38) DHODHKCNA3PRKAG1PRKAA2PRKAA1
SCHEMBL1481173 0.91 DHODH (0.38) DHODHKCNA3PRKAG1PRKAA2PRKAA1
SCHEMBL1480586 0.90 PPARA (0.46) PPARAALBFFAR1PPARGPPARD
SCHEMBL1480587 0.90 PPARA (0.46) PPARAALBFFAR1PPARGPPARD
SCHEMBL5873687 0.90 HDAC3 (0.33) PPARAALBFFAR1PPARGPPARD
SCHEMBL1480591 0.87 FFAR4 (0.43) PPARAALBFFAR1PPARGPPARD
SCHEMBL1480594 0.87 FFAR4 (0.43) PPARAALBFFAR1PPARGPPARD
SCHEMBL1480271 0.83 DHODH (0.36) DHODHHDAC3HDAC4HDAC1HDAC7
SCHEMBL1480268 0.83 DHODH (0.36) DHODHHDAC3HDAC4HDAC1HDAC7
SCHEMBL1481647 0.82 PTGS2 (0.41) PPARAHDAC3STAT3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006518738-A 2006-08-17 JP claimed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP claimed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO claimed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO claimed