SCHEMBL22700804

SCHEMBL22700804

C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 1/20 0.39
HPGD P15428 2/20 0.38
KCNH2 Q12809 2/20 0.36
HSP90AA1 P07900 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
F2 P00734 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL22667665 0.95 HTT (0.45) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL22667667 0.95 HTT (0.45) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL16547096 0.94 THRB (0.50) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL12090760 0.94 THRB (0.50) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL18876412 0.94 THRB (0.50) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL22446246 0.94 THRB (0.50) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL14097956 0.93 THRB (0.51) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL13083505 0.92 THRB (0.48) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL12087306 0.90 THRB (0.51) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL24595939 0.90 SMN1; SMN2 (0.40) THRBTSHRALDH1A1CYP3A4HTT

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-20200369959-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, METHOD FOR PRODUCING POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2020-11-26 US disclosed