SCHEMBL28064128

SCHEMBL28064128

O=C(Cc1cncs1)ON1CCC(CCOc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.40
TEAD3 Q99594 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
CSF1R P07333 1/20 0.38
KDR P35968 1/20 0.38
DGAT1 O75907 2/20 0.37
CYP3A4 P08684 1/20 0.37
SOAT1 P35610 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ROCK1 Q13464 1/20 0.35
TSHR P16473 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
SCHEMBL28064087 0.94 TEAD1 (0.44) TEAD1TEAD3FAAHCSF1RKDR
SCHEMBL28064084 0.92 TEAD1 (0.47) TEAD1TEAD3ALDH1A1PPARGPPARD
SCHEMBL28064064 0.83 TEAD1 (0.41) TEAD1TEAD3KDM4EALDH1A1GAA
SCHEMBL28064082 0.83 KDM4E (0.41) TEAD1TEAD3KDM4EALDH1A1GAA
SCHEMBL28064086 0.82 LTA4H (0.39) TEAD1TEAD3MEN1KMT2ASMN1; SMN2
SCHEMBL28064060 0.82 LTA4H (0.39) TEAD1TEAD3ALDH1A1PPARGPPARD
SCHEMBL28064069 0.82 PPARG (0.37) TEAD1TEAD3PPARGPPARDPPARA
SCHEMBL2229682 0.82 TEAD1 (0.45) TEAD1TEAD3KDM4EALDH1A1GAA
SCHEMBL28064102 0.81 KDM4E (0.41) TEAD1TEAD3KDM4EALDH1A1GAA
SCHEMBL28064068 0.81 PARP10 (0.53) TEAD1TEAD3

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