SCHEMBL17995258

SCHEMBL17995258

Cn1cc(C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.69
HTT P42858 1/20 0.59
POLB P06746 1/20 0.56
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MITF O75030 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 2/20 0.48
BRD4 O60885 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL31621504 0.82 NR4A2 (1.00) NR4A2HTTPOLBKMT2ALMNA
SCHEMBL1092934 0.82 NR4A2 (1.00) NR4A2HTTPOLBKMT2ALMNA
SCHEMBL20554177 0.81 NR4A2 (0.73) NR4A2HTTPOLBKMT2ALMNA
SCHEMBL4658573 0.81 NR4A2 (0.73) NR4A2HTTPOLBKMT2ALMNA
SCHEMBL30525813 0.80 NR4A2 (0.44) NR4A2HTTKMT2ALMNA
SCHEMBL1096698 0.80 NR4A2 (0.44) NR4A2HTTKMT2ALMNA
SCHEMBL1096716 0.80 NR4A2 (0.44) NR4A2HTTPOLBKMT2ALMNA
SCHEMBL22289917 0.80 HTR3A (0.56) NR4A2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL13543195 0.79 HTT (0.73) NR4A2HTTPOLBKMT2ALMNA
SCHEMBL8693115 0.79 ALDH1A1 (0.69) NR4A2POLBKMT2ALMNAALDH1A1

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-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed