SCHEMBL28259609

SCHEMBL28259609

CCC(C)C(=O)OC1C[C@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 2/20 0.49

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
SCHEMBL786210 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMAPK1KMT2A
Acetic Acid SCHEMBL28210853 0.96 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL23967261 0.87 LMNA (0.48) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL824213 0.86 KMT2A (0.50) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL28326662 0.86 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL28001251 0.85 ALDH1A1 (0.65) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL17627665 0.85 MAPT (0.55) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL17627632 0.85 MAPT (0.55) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL30994865 0.85 MAPT (0.55) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL1628256 0.85 MAPT (0.55) ALDH1A1LMNAMAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117356566-A Application of (R) -Lavender (R) -2-methylbutyrate in pheromone attractant and attracting core 中国农业大学 2024-01-09 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
CN-108782559-A A kind of new application for luring Frankliniella occidentalis reagent 浙江省农业科学院 2018-11-13 CN disclosed
CN-104381255-B Reagent for inducing frankliniella occidentalis 浙江省农业科学院 2018-06-05 CN disclosed
CN-104381255-A Reagent for inducing frankliniella occidentalis ZHEJIANG ACAD AGRICULTURAL SCI 2015-03-04 CN disclosed