SCHEMBL4284638

SCHEMBL4284638

O=C(O)CCCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.58
HDAC3 O15379 8/20 0.57
HDAC4 P56524 8/20 0.57
HDAC1 Q13547 8/20 0.57
HDAC7 Q8WUI4 8/20 0.57
HDAC2 Q92769 8/20 0.57
HDAC10 Q969S8 8/20 0.57
HDAC11 Q96DB2 8/20 0.57
HDAC8 Q9BY41 8/20 0.57
HDAC6 Q9UBN7 8/20 0.57
HDAC9 Q9UKV0 8/20 0.57
HDAC5 Q9UQL6 8/20 0.57
MMP2 P08253 1/20 0.54
FFAR4 Q5NUL3 3/20 0.54
FFAR1 O14842 2/20 0.54
MMP3 P08254 2/20 0.51
ALB P02768 1/20 0.51

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
SCHEMBL8355954 0.93 PPARA (0.61) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL19489958 0.93 PPARA (0.61) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL28543148 0.93 PPARA (0.61) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1822003 0.90 FFAR1 (0.58) PPARAFFAR4FFAR1
SCHEMBL31448470 0.86 PPARA (0.73) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7515225 0.85 HDAC3 (0.77) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1007408 0.85 HDAC3 (0.77) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3381443 0.85 HDAC3 (0.77) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1822418 0.84 L3MBTL1 (0.67) PPARAMMP2FFAR4FFAR1MMP3
SCHEMBL21073528 0.84 PPARA (0.71) PPARAHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585983-B2 Alkylenedioxythiophenes and poly(alkylenedioxythiophenes) containing mesogenic groups H.C. STARCK, GMBH (DE) 2009-09-08 US disclosed
US-7585983-B2 Alkylenedioxythiophenes and poly(alkylenedioxythiophenes) containing mesogenic groups H.C. STARCK, GMBH (DE) 2009-09-08 US disclosed
US-7585983-B2 Alkylenedioxythiophenes and poly(alkylenedioxythiophenes) containing mesogenic groups H.C. STARCK, GMBH (DE) 2009-09-08 US disclosed
US-20040227128-A1 Alkylenedioxythiophenes and poly(alkylenedioxythiophenes) containing mesogenic groups H.C. STARCK GMBH (DE) 2004-11-18 US disclosed
EP-1440974-A2 Alkylenedioxythiophenes and Poly(alkylendioxythiophenes) with mesogenic groups Bayer Chemicals AG (DE) 2004-07-28 EP disclosed