SCHEMBL28078070

SCHEMBL28078070

C=C(NCC(=O)OC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.50
RECQL P46063 1/20 0.48
TSHR P16473 6/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
EPHX2 P34913 1/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 3/20 0.34
CA14 Q9ULX7 2/20 0.34
CA2 P00918 2/20 0.34
CYP1A2 P05177 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
SCHEMBL11292989 0.77 TET2 (0.45) TET2RECQLTSHRHSD17B10GAA
SCHEMBL18039446 0.76 TET2 (0.67) TET2RECQLTSHRHSD17B10GAA
SCHEMBL2185099 0.75 EGLN1 (0.41) HSD17B10KDM4EEGLN1ALDH1A1LMNA
SCHEMBL10555722 0.75
SCHEMBL8470431 0.75 TET2 (0.48) TET2RECQLTSHRHSD17B10GAA
SCHEMBL7826416 0.73
SCHEMBL17589193 0.73 TET2 (0.61) TET2RECQLTSHRHSD17B10GAA
SCHEMBL28065431 0.71 KDM4E (0.44) TSHRGAAKDM4EALDH1A1MEN1
SCHEMBL24741587 0.71 TET2 (0.48) TET2RECQLTSHRHSD17B10GAA
SCHEMBL9632175 0.70 TET2 (0.58) TET2RECQLTSHRHSD17B10GAA

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-105764904-A Aza-pyridone compounds and uses thereof 艾丽奥斯生物制药有限公司 2016-07-13 CN disclosed