SCHEMBL29990763

SCHEMBL29990763

CC(C)(C)[C@H]1COC(=O)[C@@H](c2ccccc2)N1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
CYP19A1 P11511 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
USP2 O75604 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 1/20 0.33
TSHR P16473 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
SCHEMBL1318530 0.73 MEN1 (0.39) SMN1; SMN2CYP19A1MEN1KMT2ALMNA
SCHEMBL11951038 0.67 SMN1; SMN2 (0.45) SMN1; SMN2CYP19A1MEN1KMT2ALMNA
SCHEMBL14601299 0.67 SMN1; SMN2 (0.45) SMN1; SMN2CYP19A1MEN1KMT2ALMNA
SCHEMBL2534767 0.67 SMN1; SMN2 (0.45) SMN1; SMN2CYP19A1MEN1KMT2ALMNA
SCHEMBL1315523 0.67 SMN1; SMN2 (0.45) SMN1; SMN2CYP19A1MEN1KMT2ALMNA
SCHEMBL1315164 0.67 SMN1; SMN2 (0.45) SMN1; SMN2CYP19A1MEN1KMT2ALMNA
SCHEMBL7358289 0.66 GAA (0.38) SMN1; SMN2CYP19A1KMT2ALMNAADORA3
SCHEMBL7358282 0.66 GAA (0.38) SMN1; SMN2CYP19A1KMT2ALMNAADORA3
SCHEMBL577209 0.65 CYP19A1 (0.56) CYP19A1TSHR
SCHEMBL5803864 0.65 CA2 (0.40) SMN1; SMN2CYP19A1KMT2ALMNAADORA3

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-115160158-B Preparation method of chiral tertiary leucinol 泰州天鸿生化科技有限公司 2024-04-26 CN disclosed
CN-115160158-A Preparation method of chiral tert-leucinol 泰州天鸿生化科技有限公司 2022-10-11 CN disclosed