SCHEMBL4284626

SCHEMBL4284626

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

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.71
FFAR1 O14842 1/20 0.59
ABCB1 P08183 1/20 0.58
HPGD P15428 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
MMP3 P08254 5/20 0.56
MMP1 P03956 1/20 0.56
MMP9 P14780 1/20 0.56
MMP13 P45452 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL1252411 0.94 FFAR1 (0.65) MMP2FFAR1ABCB1HPGDABCG2
SCHEMBL2346349 0.93 FFAR1 (0.62) MMP2FFAR1ABCB1HPGDABCG2
SCHEMBL2780802 0.87 ALOX15 (0.71) FFAR1ALOX15MAPT
SCHEMBL5867303 0.85 FFAR1 (0.54) MMP2FFAR1ALOX15PTGDR2MAPT
SCHEMBL5867304 0.85 FFAR1 (0.54) MMP2FFAR1ALOX15PTGDR2MAPT
SCHEMBL8377835 0.83 MMP2 (0.55) MMP2FFAR1ALOX15PTGDR2MAPT
SCHEMBL16380470 0.83 MMP2 (1.00) MMP2ABCB1HPGDABCG2MMP3
SCHEMBL2181587 0.82 FFAR1 (0.59) MMP2FFAR1ABCB1HPGDABCG2
SCHEMBL1285747 0.81 MMP2 (0.85) MMP2FFAR1MMP3MMP1MMP9
SCHEMBL9100540 0.81 PTPN7 (0.63) MMP2FFAR1KDM4EALOX15PTGDR2

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 10 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
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed