SCHEMBL28540829

SCHEMBL28540829

Cc1ccc(OCCOC(N)=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLA P06280 1/20 0.42
NNMT P40261 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
RAB9A P51151 1/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ALOX15 P16050 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HPGD P15428 1/20 0.35
CHEK2 O96017 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
SCHEMBL11929549 0.85 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10MAPTRAB9A
SCHEMBL28503439 0.81 KDM4E (0.43) KDM4EALDH1A1GLANNMTLMNA
SCHEMBL28558762 0.81 LMNA (0.39) GLANNMTLMNAMAPTMKNK1
SCHEMBL28630009 0.79 ALDH1A1 (0.44) KDM4EALDH1A1GLANNMTLMNA
SCHEMBL18214844 0.78 KDM4E (0.47) KDM4EALDH1A1HSD17B10NNMTMAPT
SCHEMBL28476110 0.78 KDM4E (0.58) KDM4EALDH1A1HSD17B10NNMTMAPT
SCHEMBL19599653 0.76 KDM4E (0.43) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL28909873 0.76 PLAU (0.39) KDM4EALDH1A1GLALMNAPLAU
SCHEMBL881472 0.76 L3MBTL1 (0.58) ALDH1A1HSD17B10MAPTRAB9AHPGD
SCHEMBL19732860 0.75 NOS3 (0.43) KDM4EALDH1A1HSD17B10ADRA2AADRA2B

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-112236161-A Modulators of G protein-coupled receptors 卡莫特治疗学股份有限公司 2021-01-15 CN disclosed