SCHEMBL28029432

SCHEMBL28029432

CC(CN)NCc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
CA12 O43570 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 5/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAPT P10636 3/20 0.45
MPO P05164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.43
SLC6A4 P31645 1/20 0.42
HSPA5 P11021 1/20 0.42

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
SCHEMBL170949 0.84 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL19091174 0.84 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL172673 0.84 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13133346 0.84 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13257871 0.84 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL2371673 0.83 POLB (0.60) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13995868 0.82 POLB (0.69) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13995964 0.82 POLB (0.69) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL9178086 0.81 POLB (0.58) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL9911464 0.81 POLB (0.62) POLBMAPK1MEN1KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365972-A Lubricating base oils synthesized from sugar alcohol esters 阿科玛法国公司 2021-09-07 CN disclosed
CN-113366095-A Lubricating base oils synthesized from polyol esters and fatty acids of biological origin 阿科玛法国公司 2021-09-07 CN disclosed
CN-103980960-B Environmental protection composite gasoline LI WEIKANG (CN) 2015-09-16 CN disclosed