SCHEMBL22600352

SCHEMBL22600352

C=CC(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
RARB P10826 4/20 0.39
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 3/20 0.34
ELANE P08246 1/20 0.33
MET P08581 2/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL22600355 0.93 THRB (0.46) THRBRARBRARARARGS1PR1
SCHEMBL802826 0.91 RARB (0.42) THRBRARBRARARARGS1PR1
SCHEMBL20672253 0.91 RARB (0.42) THRBRARBRARARARGS1PR1
SCHEMBL803177 0.91 THRB (0.49) THRBRARBRARARARGS1PR1
SCHEMBL10024014 0.89 THRB (0.43) THRBRARBRARARARGS1PR1
SCHEMBL18388098 0.89 RARB (0.40) THRBRARBRARARARGS1PR1
SCHEMBL20672322 0.89 THRB (0.53) THRBHPGDTSHRELANEMET
SCHEMBL18511295 0.88 THRB (0.49) THRBRARBRARARARGS1PR1
SCHEMBL18194802 0.88 THRB (0.41) THRBRARBS1PR1S1PR3FFAR4
SCHEMBL12092908 0.88 RARB (0.46) THRBRARBRARARARGS1PR1

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