SCHEMBL28064063

SCHEMBL28064063

Cc1ccc(C(C)C)c(OCCC2CCN(OC(=O)Cc3nccs3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
NPBWR1 P48145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28064167 0.88 KCNA5 (0.46) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL28064079 0.84 KDM4E (0.39) KDM4EALDH1A1TDP1NPBWR1SMN1; SMN2
SCHEMBL2231167 0.83 ALDH1A1 (0.42) KDM4EALDH1A1TDP1HTTRECQL
SCHEMBL28064076 0.79 PPARG (0.47) TSHR
SCHEMBL28088135 0.77 PPARG (0.40) KDM4EALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL28064164 0.77 SIGMAR1 (0.38) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28064061 0.76 PPARG (0.37) MCHR1MAPT
SCHEMBL28064074 0.76 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL28064161 0.76 HCRTR1 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL28064165 0.75 CHEK2 (0.42)

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