SCHEMBL495930

SCHEMBL495930

C=C(C)C(=O)OCC(C)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.49
MMP3 P08254 5/20 0.49
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL495932 1.00 MMP2 (0.49) MMP2MMP3TSHRALDH1A1HPGD
SCHEMBL13806661 0.82 ALDH1A1 (0.57) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL495458 0.82 MMP2 (0.51) MMP2MMP3TSHRALDH1A1HPGD
SCHEMBL494779 0.82 MMP2 (0.51) MMP2MMP3TSHRALDH1A1HPGD
SCHEMBL496678 0.81 PPARG (0.47) TSHR
SCHEMBL496679 0.81 PPARG (0.47) TSHR
SCHEMBL11986124 0.80 MMP2 (0.52) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL7578689 0.79 MAPT (0.58) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL9004228 0.79 MMP2 (0.49) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL495827 0.79 TSHR (0.53) TSHRALDH1A1GAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
EP-1689827-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS Rolic AG (CH) 2006-08-16 EP disclosed
WO-2005054406-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2005-06-16 WO disclosed