SCHEMBL16804265

SCHEMBL16804265

C=C(CC(=O)NCCC[Si](OC)(OC)OC)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP2 P42575 1/20 0.30
EPHX1 P07099 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
SCHEMBL18180992 0.84 TSHR (0.44) TSHRMEN1KMT2APOLBFAAH
SCHEMBL9322077 0.82 TSHR (0.40) TSHRMEN1KMT2APOLBFAAH
SCHEMBL22174072 0.78 TSHR (0.52) TSHRMEN1KMT2APOLBFAAH
SCHEMBL19273990 0.77 TSHR (0.39) TSHRMEN1KMT2APOLBALDH1A1
SCHEMBL135382 0.77 ALDH1A1 (0.35) TSHRPOLBKDM4EMAPK1HIF1A
SCHEMBL10136017 0.77 CASP2 (0.47) MEN1KMT2AFAAHCASP2EPHX1
SCHEMBL18164189 0.77 TSHR (0.55) TSHRMEN1KMT2APOLBFAAH
SCHEMBL16477882 0.77 MEN1 (0.61) TSHRMEN1KMT2A
SCHEMBL16422261 0.77 TSHR (0.41) TSHRMEN1KMT2APOLBFAAH
SCHEMBL960689 0.76 KDM4E (0.56) TSHRKDM4EMAPK1HIF1AALDH1A1

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-9329479-B2 Lithographic printing plate precusor AGFA GRAPHICS NV (BE) 2016-05-03 US disclosed
US-20150168837-A1 LITHOGRAPHIC PRINTING PLATE PRECUSOR ECO3 BV (BE) 2015-06-18 US disclosed