SCHEMBL29137626

SCHEMBL29137626

O=CC1(c2cccc3ccccc23)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.38
SLC6A4 P31645 7/20 0.38
SLC6A2 P23975 6/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TTR P02766 1/20 0.36
AKR1B1 P15121 1/20 0.36
PIM1 P11309 1/20 0.34
PRKDC P78527 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL706765 0.71 NR4A1 (0.42) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL11608127 0.71 NR4A1 (0.46) KDM4EMEN1KMT2AMAPTMAPK1
SCHEMBL15862848 0.70 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL28570949 0.70 TSHR (0.37) MEN1KMT2AMAPK1
SCHEMBL8747021 0.68 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL26967577 0.67 KDM4E (0.41) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL10453624 0.67 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL27101351 0.66 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL577013 0.64 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL708525 0.63 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2KDM4EMEN1

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-114854024-B Modified carbamate silicone oil emulsion, preparation method thereof and method for preparing polyacrylonitrile carbon fiber 东华大学 2023-03-28 CN disclosed