SCHEMBL28050185

SCHEMBL28050185

COCC(O)CC1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
PDK1 Q15118 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL5615594 0.81 HPGD (0.39) HPGDKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1783303 0.79
SCHEMBL23174668 0.77 CHRM2 (0.41) PDK1ALDH1A1L3MBTL1
SCHEMBL6419144 0.77 USP2 (0.41) HPGDKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL27117131 0.75
SCHEMBL8208318 0.74
SCHEMBL11024768 0.74 USP2 (0.39) HPGDKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3051768 0.73 TSHR (0.40) HPGDKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL28091901 0.73 KMT2A (0.41) HPGDKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1711652 0.72 KMT2A (0.51) HPGDKMT2AMEN1SMN1; SMN2LMNA

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-105612057-A Method for providing lithographic printing plates AGFA GRAPHICS NV 2016-05-25 CN disclosed