SCHEMBL4273348

SCHEMBL4273348

N#Cc1ccc(-c2ccc(OCCCCC(=O)O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.82
MMP3 P08254 5/20 0.72
HDAC1 Q13547 4/20 0.70
HDAC2 Q92769 4/20 0.70
MMP1 P03956 1/20 0.62
MMP9 P14780 1/20 0.62
MMP13 P45452 1/20 0.62
PPARA Q07869 3/20 0.55
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HRH3 Q9Y5N1 2/20 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
SCHEMBL13862226 0.98 MMP2 (0.80) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL8657014 0.98 MMP2 (0.80) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL5097470 0.98 MMP2 (0.80) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL7520274 0.98 MMP2 (0.80) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL6252232 0.98 MMP2 (0.80) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL9128810 0.98 MMP2 (0.80) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL1285747 0.95 MMP2 (0.85) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL4614541 0.95 MMP2 (0.73) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL3952240 0.94 MMP2 (0.71) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL5516422 0.94 MMP2 (0.71) MMP2MMP3HDAC1HDAC2MMP1

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-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
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed