SCHEMBL29137828

SCHEMBL29137828

CN(C)Cc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.59
LOXL2 Q9Y4K0 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
MEP1B Q16820 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS1 P29475 1/20 0.41
FOLH1 Q04609 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL127411 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP1A2CYP2D6CYP2C19
SCHEMBL29471996 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP1A2CYP2D6CYP2C19
SCHEMBL12301533 0.84 SLC7A5 (0.65) SLC7A5LOXL2CYP1A2CYP2D6CYP2C19
SCHEMBL21311029 0.84 EGFR (0.53) SLC7A5CYP4F2CYP4A11KDM4E
SCHEMBL7384982 0.83 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL165622 0.83 LOXL2 (0.66) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL3499880 0.83 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL18195638 0.82 MEP1B (0.48) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL27989651 0.81 LOXL2 (0.47) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL1246082 0.81 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11SMN1; 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
CN-114605404-B Novel thiazole-containing compound, intermediate and application thereof 合肥美诺医药有限公司 2024-01-05 CN disclosed
CN-114605404-A Novel thiazole-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-06-10 CN disclosed