SCHEMBL21101843

SCHEMBL21101843

C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)cc2OC(=O)C=C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.45
BACE1 P56817 1/20 0.41
PDE6D O43924 1/20 0.37
TYMS P04818 1/20 0.37
THRA P10827 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAPDH P04406 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
ERN1 O75460 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL21101678 0.98 THRB (0.44) THRBBACE1PDE6DTYMSTHRA
SCHEMBL15338966 0.98 THRB (0.42) THRBBACE1PDE6DTYMSTHRA
SCHEMBL17625741 0.92 THRB (0.44) THRBBACE1PDE6DTYMSTHRA
SCHEMBL15339212 0.91 THRB (0.38) THRBBACE1PDE6DTYMSTHRA
SCHEMBL17625776 0.90 BACE1 (0.51) THRBBACE1PDE6DTYMSTHRA
SCHEMBL15338917 0.90 THRB (0.46) THRBBACE1PDE6DTYMSTHRA
SCHEMBL15339166 0.90 THRB (0.37) THRBBACE1PDE6DTYMSTHRA
SCHEMBL15339124 0.89 THRB (0.39) THRBBACE1PDE6DTYMSTHRA
SCHEMBL18806057 0.89 THRB (0.45) THRBBACE1SMN1; SMN2KDM4ECYP1A2
SCHEMBL15339169 0.89 THRB (0.41) THRBBACE1PDE6DTYMSTHRA

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-11015122-B2 Liquid crystal composition and liquid crystal display element SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-05-25 US disclosed
US-20190185752-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-06-20 US disclosed