SCHEMBL8588047

SCHEMBL8588047

CCOC(=O)N1CC=C(OCC(F)(F)F)C(C(=O)C2=C(c3ccc(F)cc3)N(C(=O)OCC)CC=C2OCC(F)(F)F)=C1c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 5/20 0.34
KDM4E B2RXH2 4/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 4/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3994832 0.61 CHRM2 (0.40) ALDH1A1GAAL3MBTL1CYP1A2CYP2C19
SCHEMBL8588050 0.60 ACHE (0.36) ALDH1A1GAACYP1A2KMT2ACYP2C19
SCHEMBL16595716 0.58 MAPT (0.47) ALDH1A1GAAL3MBTL1CYP1A2KMT2A
SCHEMBL17420753 0.57 MRGPRX1 (0.45) ALDH1A1GAAL3MBTL1CYP1A2KMT2A
SCHEMBL17420627 0.57 MRGPRX1 (0.43) ALDH1A1L3MBTL1CYP1A2KMT2AMEN1
SCHEMBL7365076 0.56 KMT2A (0.69) ALDH1A1CYP1A2KMT2ACYP2C19MEN1
SCHEMBL28148471 0.56 MAPT (0.51) ALDH1A1GAACYP1A2KMT2ACYP2C19
SCHEMBL16595801 0.56 NPC1 (0.46) ALDH1A1GAAL3MBTL1CYP1A2KMT2A
SCHEMBL8544348 0.56 USP2 (0.55) ALDH1A1GAAL3MBTL1HPGDKDM4E
SCHEMBL8583666 0.55 MEN1 (0.39) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10001469-A None JP disclosed
JP-H101469-A INSECTICIDAL HYDRAZONE DERIVATIVE NIPPON BAYER AGROCHEM KK 1998-01-06 JP disclosed