SCHEMBL5873687

SCHEMBL5873687

Cn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(OCCCCC(=O)OC(=O)c3ccc(Oc4ccc(-c5ccc(C=Cc6nc(-c7ccc(Cl)cc7Cl)cn6C)cc5)cc4)cc3Br)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
STAT3 P40763 1/20 0.33
CNR1 P21554 6/20 0.33
AGER Q15109 1/20 0.32
KCNA3 P22001 1/20 0.32
PPARA Q07869 3/20 0.31
FFAR1 O14842 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
ALB P02768 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
SCHEMBL5873689 0.90 PPARA (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1481173 0.85 DHODH (0.38) CNR1KCNA3DHODH
SCHEMBL1481169 0.85 DHODH (0.38) CNR1KCNA3DHODH
SCHEMBL1481647 0.85 PTGS2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1481649 0.85 PTGS2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1480587 0.83 PPARA (0.46) CNR1AGERKCNA3PPARAFFAR1
SCHEMBL1480586 0.83 PPARA (0.46) CNR1AGERKCNA3PPARAFFAR1
SCHEMBL1481209 0.82 MAPT (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1481210 0.82 MAPT (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1480591 0.81 FFAR4 (0.43) CNR1AGERKCNA3PPARAFFAR1

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