SCHEMBL28064075

SCHEMBL28064075

Cc1ccc(OCCC2CCN(OC(=O)Cc3cscn3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KCNA5 P22460 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL28064077 0.83 KDM4E (0.44) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28064067 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL28088346 0.83 RAB9A (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL28088332 0.83 PPARG (0.36) ALDH1A1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2230184 0.81 GRIN2B (0.42) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL28064167 0.81 KCNA5 (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL28088351 0.80 PPARG (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28827928 0.80 MEN1 (0.39) SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL28064072 0.80 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL28064071 0.80 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPC1RAB9A

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