SCHEMBL28396291

SCHEMBL28396291

C=C(C)C(=O)OCCn1cccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
TSHR P16473 4/20 0.45
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.36
FDPS P14324 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DAO P14920 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL14578728 0.85 THRB (0.42) THRBTSHRLMNAMEN1KMT2A
SCHEMBL9561657 0.80 THRB (0.47) THRBTSHRMEN1KMT2APOLB
SCHEMBL6927192 0.78 THRB (0.39) THRBLMNAIDO1FDPSHTT
SCHEMBL31283564 0.75 ALDH1A1 (0.46) THRBTSHRLMNAMEN1KMT2A
SCHEMBL28168322 0.73 TSHR (0.51) THRBTSHRMEN1KMT2APOLB
Benzene SCHEMBL28145673 0.72 THRB (0.65) THRBTSHRLMNAPOLBAPEX1
SCHEMBL31556453 0.72 THRB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL412090 0.72 THRB (0.48) THRBTSHRLMNAMEN1KMT2A
SCHEMBL29180180 0.72 L3MBTL1 (0.57) THRBTSHRPOLBAPEX1HTT
SCHEMBL17853424 0.72 POLB (0.43) THRBTSHRMEN1KMT2APOLB

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
CN-111004543-A UV (ultraviolet) curing ink-jet printing ink 艾森半导体材料(南通)有限公司 2020-04-14 CN disclosed