SCHEMBL28829348

SCHEMBL28829348

O=C(O)C(c1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACP3 P15309 1/20 0.46
PPARG P37231 4/20 0.40
PPARA Q07869 1/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL28136039 0.88 ACP3 (0.44) MEN1KMT2AACP3DPP4DPP7
SCHEMBL22895027 0.82 GRN (0.49) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL8194317 0.82 MEN1 (0.42) MEN1KMT2AACP3PPARGKEAP1
SCHEMBL3954719 0.81 MEN1 (0.47) MEN1KMT2AACP3KEAP1NFE2L2
SCHEMBL28789627 0.81 HDAC4 (0.49)
SCHEMBL3435446 0.79 PTPN5 (0.46)
SCHEMBL5574337 0.79 CES2 (0.54) MEN1KMT2AACP3PPARGPPARA
SCHEMBL195532 0.79 SRC (0.50) ACP3
SCHEMBL7955519 0.79 SRC (0.50) ACP3
SCHEMBL4026079 0.79 SRC (0.50) ACP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN disclosed