SCHEMBL28064064

SCHEMBL28064064

O=C(Cc1nccs1)ON1CCC(CCOc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.41
TEAD3 Q99594 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
CSF1R P07333 1/20 0.36
KDR P35968 1/20 0.36
ROCK1 Q13464 1/20 0.36
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL28064161 0.83 HCRTR1 (0.42) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL28064128 0.83 TEAD1 (0.40) TEAD1TEAD3KDM4EALDH1A1GAA
SCHEMBL28064074 0.82 ALDH1A1 (0.42) TEAD1TEAD3ALDH1A1GAAMEN1
SCHEMBL28064061 0.82 PPARG (0.37) TEAD1TEAD3PPARGPPARDPPARA
SCHEMBL28064082 0.82 KDM4E (0.41) TEAD1TEAD3KDM4EALDH1A1GAA
SCHEMBL2227100 0.82 GRIN2B (0.49) TEAD1TEAD3KDM4EALDH1A1GAA
SCHEMBL28064165 0.80 CHEK2 (0.42)
SCHEMBL28064059 0.80 HRH3 (0.39) TEAD1TEAD3GAAMEN1KMT2A
SCHEMBL28064164 0.79 SIGMAR1 (0.38) KDM4EALDH1A1GAAPPARGPPARD
SCHEMBL28064167 0.77 KCNA5 (0.46) KDM4EALDH1A1PPARGPPARDPPARA

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