SCHEMBL28064102

SCHEMBL28064102

CCOc1ccccc1OCCC1CCN(OC(=O)Cc2cncs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 3/20 0.36
SSTR4 P31391 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
APAF1 O14727 1/20 0.34
LMNA P02545 1/20 0.34
HTR7 P34969 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
TP53 P04637 1/20 0.34
DGAT2 Q96PD7 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 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
SCHEMBL28064084 0.86 TEAD1 (0.47) LMNATEAD1TEAD3ALDH1A1
SCHEMBL28064081 0.86 PTGDR2 (0.40) IDO1SSTR4SLC6A2SLC6A4MEN1
SCHEMBL28064163 0.85 ALDH1A1 (0.38) KDM4EIDO1MEN1KMT2AHTR7
SCHEMBL28064067 0.83 KDM4E (0.40) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL28064087 0.83 TEAD1 (0.44) TEAD1TEAD3
SCHEMBL28064086 0.83 LTA4H (0.39) MEN1KMT2ATEAD1TEAD3
SCHEMBL28064079 0.82 KDM4E (0.39) KDM4EMEN1KMT2ALMNATP53
SCHEMBL28064077 0.82 KDM4E (0.44) KDM4ESSTR4MEN1KMT2AHTR7
SCHEMBL28088153 0.82 HRH3 (0.37) KDM4EMEN1KMT2AALDH1A1
SCHEMBL2228770 0.81 GRIN2B (0.43) KDM4E

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-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN claimed
CN-105837565-A ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 赛诺菲 2016-08-10 CN disclosed
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN disclosed