SCHEMBL25780271

SCHEMBL25780271

CCOC(=O)C(=O)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.54
TACR1 P25103 5/20 0.49
NPSR1 Q6W5P4 2/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
THRB P10828 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 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
SCHEMBL25780344 0.86 GPR35 (0.57) GPR35TACR1NPSR1THRBKDM4E
SCHEMBL25780181 0.80 GPR35 (0.53) GPR35TACR1NPSR1EGLN1THRB
SCHEMBL25780183 0.78 GPR35 (0.52) GPR35NPSR1KDM4EALDH1A1HPGD
SCHEMBL25780629 0.78 TACR1 (0.55) TACR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL25780184 0.77 GPR35 (0.51) GPR35TACR1NPSR1THRBKDM4E
SCHEMBL25780182 0.77 GPR35 (0.57) GPR35TACR1NPSR1KMT2AKDM4E
SCHEMBL26317248 0.77 KMT2A (0.48) GPR35TACR1THRBGLAKMT2A
SCHEMBL9364645 0.77 GPR35 (0.68) GPR35NPSR1THRBALDH1A1HPGD
SCHEMBL15682690 0.76 KDM4E (0.60) NPSR1THRBKMT2AKDM4EALDH1A1
SCHEMBL4109741 0.75 HDAC3 (0.62) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A

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
WO-2023118434-A1 PESTICIDALLY ACTIVE AMIDE COMPOUNDS GLOBACHEM NV (BE) 2023-06-29 WO disclosed