SCHEMBL495827

SCHEMBL495827

C=C(C)C(=O)OCC(C)Oc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LDHA P00338 1/20 0.42
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL27537093 0.85 TSHR (0.53) TSHRMTNR1AMTNR1BTDP1POLB
SCHEMBL301505 0.85 TSHR (0.56) TSHRMTNR1AMTNR1BTDP1POLB
SCHEMBL4775744 0.84 LDHA (0.47) LDHAMTNR1AMTNR1BTDP1POLB
SCHEMBL4775742 0.84 LDHA (0.47) LDHAMTNR1AMTNR1BTDP1POLB
SCHEMBL27506485 0.83 TSHR (0.50) TSHRMTNR1AMTNR1BPOLBMEN1
SCHEMBL27502502 0.82 TSHR (0.53) TSHRMTNR1AMTNR1BTDP1POLB
SCHEMBL11753291 0.81 LDHA (0.44) LDHAMTNR1AMTNR1BTDP1POLB
SCHEMBL11750386 0.81 LDHA (0.44) LDHAMTNR1AMTNR1BTDP1POLB
SCHEMBL496678 0.80 PPARG (0.47) TSHRMTNR1AMTNR1BTDP1POLB
SCHEMBL496679 0.80 PPARG (0.47) TSHRMTNR1AMTNR1BTDP1POLB

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 9 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
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
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