SCHEMBL21883934

SCHEMBL21883934

C=CC(=O)OCCCOc1ccc(C(=O)OC2=CC=C(OC(=O)c3ccc(OC(=O)NCCOC(C)=O)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NFKB1 P19838 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
SCHEMBL20693221 0.95 MGLL (0.39) MGLLTHRBTSHRHTTPOLB
SCHEMBL21883828 0.94 MGLL (0.40) MGLLTHRBTSHRUSP2ALOX15
SCHEMBL20693242 0.92 HTT (0.46) MGLLTHRBTSHRUSP2ALOX15
SCHEMBL20693292 0.91 HTT (0.47) MGLLTHRBTSHRUSP2ALOX15
SCHEMBL16885046 0.86 THRB (0.45) MGLLTHRBTSHRHTTNPC1
SCHEMBL16885051 0.86 THRB (0.45) MGLLTHRBTSHRHTTPOLB
SCHEMBL22245542 0.86 MAPT (0.37) MGLLTHRBTSHRHTTNPC1
SCHEMBL20693286 0.86 MGLL (0.34) MGLLTHRBTSHRHTTNPC1
SCHEMBL20693244 0.85 THRB (0.46) THRBTSHRHTTPOLBNPC1
SCHEMBL20693246 0.85 THRB (0.46) THRBTSHRHTTPOLBNPC1

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-11332671-B2 Liquid crystal composition, method for producing reflective layer, reflective layer, cured product, and optically anisotropic body FUJIFILM CORPORATION (JP) 2022-05-17 US disclosed
US-20200102500-A1 LIQUID CRYSTAL COMPOSITION, METHOD FOR PRODUCING REFLECTIVE LAYER, REFLECTIVE LAYER, CURED PRODUCT, AND OPTICALLY ANISOTROPIC BODY FUJIFILM CORPORATION (JP) 2020-04-02 US disclosed