SCHEMBL28557461

SCHEMBL28557461

CC(=O)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR0B1 P51843 1/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.39
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4241441 0.88 NR0B1 (0.48) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL28620615 0.85 NR0B1 (0.69) NR0B1LMNASMN1; SMN2POLBKDM4E
SCHEMBL4244260 0.85 KMT2A (0.54) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4664683 0.84 NR0B1 (0.45) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4664917 0.83 NR0B1 (0.46) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4664885 0.82 NR0B1 (0.43) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4664915 0.82 NPC1 (0.48) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4663204 0.82 NR0B1 (0.44) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4663019 0.82 NR0B1 (0.44) NR0B1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4664903 0.79 NPC1 (0.52) NR0B1ALDH1A1MEN1KMT2AGAA

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-112778188-A Preparation method of alternaria tenuifolia keto acid and derivatives thereof 安徽农业大学 2021-05-11 CN disclosed