SCHEMBL29276554

SCHEMBL29276554

O=C1CC(=O)O[C@@H](/C=C/c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM1A O60341 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAOA P21397 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
JAK2 O60674 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GAA P10253 1/20 0.37

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
SCHEMBL29276560 1.00 MAPT (0.52) MAPTKDM1AALDH1A1MAOASMN1; SMN2
SCHEMBL9569702 0.76 LMNA (0.49) MAPTKDM1AALDH1A1MAOASMN1; SMN2
SCHEMBL18214357 0.76 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2CYP1A2LMNA
SCHEMBL30528448 0.75 MAPT (0.54) MAPTKDM1AALDH1A1MAOASMN1; SMN2
SCHEMBL10553604 0.75
SCHEMBL10730373 0.75
SCHEMBL10553612 0.75
SCHEMBL10553620 0.75
SCHEMBL22063760 0.74 LMNA (0.48) MAPTKDM1AALDH1A1MAOASMN1; SMN2
SCHEMBL22063610 0.74 LMNA (0.48) MAPTKDM1AALDH1A1MAOASMN1; 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-120000544-A Use of compounds and compositions thereof for reducing muscle tone 上海克琴科技有限公司 2025-05-16 CN disclosed
CN-118324737-A New preparation method of kavain with high optical purity 上海克琴科技有限公司 2024-07-12 CN disclosed