SCHEMBL30794012

SCHEMBL30794012

CCC(=O)NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.61
FFAR1 O14842 3/20 0.56
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
SLC6A5 Q9Y345 2/20 0.51
MAPK14 Q16539 1/20 0.50

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
SCHEMBL934145 0.87 HDAC3 (0.60) PPARGPPARAALDH1A1TP53MAPK14
SCHEMBL21376962 0.87 MAOB (0.60) MAOBPPARAMAPK14
SCHEMBL13652546 0.83 LMNA (0.61) ADAMTS5ALDH1A1
SCHEMBL31441380 0.81 MME (0.54) MAOBFFAR1PPARGPPARAADAMTS5
Hydrochloric Acid SCHEMBL30002297 0.81 MAOB (0.54) MAOBFFAR1PPARGPPARASLC6A5
SCHEMBL30002045 0.80 MME (0.53) MAOBFFAR1PPARGPPARAADAMTS5
SCHEMBL27952495 0.80 MAOB (0.66) MAOBFFAR1PPARGPPARASLC6A5
SCHEMBL30001612 0.79 MAOB (0.52) MAOBFFAR1PPARGPPARAADAMTS5
SCHEMBL26262293 0.78 ACACB (0.62)
SCHEMBL30001571 0.78 MME (0.52) MAOBFFAR1PPARGPPARAADAMTS5

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-117677382-A Benzyloxy benzylamino amino acid derivatives that modulate TSLP/TSLPR signaling 阿米蒂比奥有限公司 2024-03-08 CN disclosed