SCHEMBL29253264

SCHEMBL29253264

Nc1cccc(CC(NC(F)C(F)F)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
FOLH1 Q04609 1/20 0.39
SLC1A1 P43005 2/20 0.39
GRIA2 P42262 1/20 0.39
ACE P12821 1/20 0.39
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FPR2 P25090 2/20 0.38
NAMPT P43490 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
SCHEMBL6770152 0.84 MME (0.55) MMEFOLH1ACEL3MBTL1
SCHEMBL29253180 0.81 NOS3 (0.41) MMEFOLH1ACEL3MBTL1FPR2
SCHEMBL3770259 0.80 SLC7A5 (0.47) MMEMAOAMAOBFOLH1GRIA2
SCHEMBL3770263 0.80 SLC7A5 (0.47) MMEMAOAMAOBFOLH1GRIA2
SCHEMBL29253336 0.79 ALDH1A1 (0.45) L3MBTL1
SCHEMBL6774452 0.77 GNPAT (0.51) MMEFOLH1ACEL3MBTL1
SCHEMBL6774455 0.77 GNPAT (0.51) MMEFOLH1ACEL3MBTL1
SCHEMBL2779453 0.77 GNPAT (0.51) MMEFOLH1ACEL3MBTL1
SCHEMBL28452308 0.77 ACE (0.43) MAOAMAOBFOLH1SLC1A1GRIA2
SCHEMBL6769407 0.75 FOLH1 (0.51) MMEFOLH1ACEL3MBTL1

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-111491938-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2024-05-24 CN disclosed