SCHEMBL15080919

SCHEMBL15080919

CCC(C)(C)CC(C)(C)C(=O)OCCNC(=O)n1nc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.42
TSHR P16473 2/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15695731 0.91 ASAH1 (0.43) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL12384029 0.90 ASAH1 (0.39) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL24218338 0.85 ASAH1 (0.43) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL25560217 0.75 ASAH1 (0.41) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL32666117 0.75 TSHR (0.56) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL273285 0.74 TSHR (0.41) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL32666111 0.71 ASAH1 (0.60) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL13248693 0.71 TSHR (0.51) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL19487102 0.70 TSHR (0.54) ASAH1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL24977106 0.69 ASAH1 (0.70) ASAH1TSHRALDH1A1L3MBTL1MEN1

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-8476621-B2 Resin composition, gate insulating layer, and organic thin film transistor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed