SCHEMBL13618418

SCHEMBL13618418

CCCCCCCCCCCCCCCCCCOc1cc(NC(=O)/C=C\C(=O)O)cc(NC(=O)/C=C\C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
PLA2G2A P14555 2/20 0.51
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51
LPAR1 Q92633 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
HCAR2 Q8TDS4 2/20 0.47
BLM P54132 1/20 0.46
POLB P06746 1/20 0.46
FAAH O00519 6/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL104555 0.91 THRA (0.48) THRATHRBALDH1A1MAPTSMN1; SMN2
SCHEMBL30764099 0.82 ALDH1A1 (0.65) THRATHRBALDH1A1MAPTSMN1; SMN2
SCHEMBL11140557 0.76 LPAR2 (0.59) THRBALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL11140553 0.76 LPAR2 (0.59) THRBALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7826541 0.73 GAA (0.57) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL9354327 0.72 THRA (1.00) THRATHRBS1PR1
SCHEMBL28084264 0.72 THRA (1.00) THRATHRBS1PR1
SCHEMBL28084259 0.72 THRA (1.00) THRATHRBS1PR1
SCHEMBL9354320 0.72 THRA (1.00) THRATHRBS1PR1
SCHEMBL9165523 0.71 PLA2G2A (0.60) THRATHRBL3MBTL1PLA2G2AS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280236-A1 Liquid crystal alignment agent and liquid crystal alignment film formed therefore and manufacturing method thereof CHI-MEI CORPORATION 2009-11-12 US disclosed
US-20090226640-A1 Liquid crystal alignment agent and liquid crystal alignment film formed therefore and manufacturing method thereof CHI-MEI CORPORATION 2009-09-10 US disclosed