SCHEMBL21013003

SCHEMBL21013003

COc1ccc(N(C)CC2CO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.44
RPS6KA2 Q15349 1/20 0.41
GAA P10253 1/20 0.41
SLC2A1 P11166 1/20 0.40
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APP P05067 1/20 0.37
SLC6A2 P23975 1/20 0.36

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
SCHEMBL17354956 0.87 MEN1 (0.45) LMNAMAPTHPGDALDH1A1HSD17B10
SCHEMBL8444849 0.84 LMNA (0.56) LMNAPKMGAASLC2A1MAPT
SCHEMBL12177604 0.83 ALDH1A1 (0.55) LMNAPKMGAAMAPTHPGD
SCHEMBL14640991 0.83 ALDH1A1 (0.55) LMNAPKMGAAMAPTHPGD
SCHEMBL7157640 0.82 MEN1 (0.41) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL24779633 0.81 LMNA (0.53) LMNAPKMGAASLC2A1MAPT
SCHEMBL17359261 0.80 MEN1 (0.41) LMNAALDH1A1MEN1KMT2A
SCHEMBL1665729 0.80 MEN1 (0.55) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL14353271 0.80 LMNA (0.52) LMNAPKMGAASLC2A1MAPT
SCHEMBL12672152 0.79 LMNA (0.38) LMNAPKMGAAMAPTHPGD

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-10294393-B2 Polysilane compound containing perfluoro(poly)ether group THE CHEMOURS COMPANY FC, LLC (US) 2019-05-21 US disclosed