SCHEMBL22600437

SCHEMBL22600437

C=CC(=O)Oc1ccc(-c2ccc(CCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.58
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.38
THRA P10827 7/20 0.36
PDE6D O43924 1/20 0.35
ELANE P08246 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL26362292 0.93 THRB (0.51) THRBPOLBAPEX1HTTTDP1
SCHEMBL22566483 0.92 THRB (0.57) THRBPOLBAPEX1HTTTDP1
SCHEMBL26362183 0.92 THRB (0.57) THRBPOLBAPEX1HTTTDP1
SCHEMBL20672322 0.91 THRB (0.53) THRBPOLBAPEX1HTTTDP1
SCHEMBL17750813 0.90 POLB (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL691351 0.90 POLB (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL22600355 0.89 THRB (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL19159505 0.88 THRB (0.62) THRBTSHRHPGDTHRAPDE6D
SCHEMBL378831 0.88 THRB (0.50) THRBPOLBAPEX1HTTTDP1
SCHEMBL15119806 0.87 POLB (0.47) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339884-A1 LIQUID CRYSTAL COMPOSITION AND USE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-10-29 US disclosed