SCHEMBL4915581

SCHEMBL4915581

C=C(C)C(=O)OCCCCN(CCCCOC(=O)C(=C)C)C(=O)CCCOC(=O)C(=C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.47
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4917946 0.95 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4915231 0.92 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4911836 0.85 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4914822 0.84 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4917623 0.83 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28953543 0.82 ALDH1A1 (0.47) TSHRALDH1A1LMNAHPGDNPC1
SCHEMBL4909696 0.82 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4916116 0.81 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
Bromide SCHEMBL1254928 0.81 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4916585 0.81 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT

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-20080102262-A1 Radiation Curable Composition and Curing Product Thereof, and Laminate Including the Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-05-01 US disclosed