SCHEMBL496679

SCHEMBL496679

C=C(C)C(=O)OC[C@@H](C)Oc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
TSHR P16473 1/20 0.46
FFAR1 O14842 2/20 0.45
ACACB O00763 12/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL496678 1.00 PPARG (0.47) PPARGPPARATSHRFFAR1ACACB
SCHEMBL301505 0.88 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL495930 0.81 MMP2 (0.49) TSHR
SCHEMBL495932 0.81 MMP2 (0.49) TSHR
SCHEMBL495827 0.80 TSHR (0.53) PPARGPPARATSHRPOLBAPEX1
SCHEMBL27537093 0.80 TSHR (0.53) TSHRACACBPOLBAPEX1HTT
SCHEMBL27506485 0.77 TSHR (0.50) PPARGPPARATSHRFFAR1ACACB
SCHEMBL27502502 0.77 TSHR (0.53) TSHRACACBPOLBAPEX1HTT
SCHEMBL7766832 0.76 ELANE (0.64) PPARGPPARAFFAR1ACACBPOLB
SCHEMBL9165741 0.75 HPGD (0.54) TSHRPOLBAPEX1HTTTDP1

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-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
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