SCHEMBL10686103

SCHEMBL10686103

CC(C)=C[C@@H]1CC(=O)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.34
ATP1A1 P05023 2/20 0.31
ATP1B1 P05026 2/20 0.31
ATP1A3 P13637 2/20 0.31
ATP1B2 P14415 2/20 0.31
ATP1A2 P50993 2/20 0.31
ATP1B3 P54709 2/20 0.31
FXYD2 P54710 2/20 0.31
ATP1A4 Q13733 2/20 0.31

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
SCHEMBL10688299 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRATP1A1ATP1B1
SCHEMBL9796917 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRATP1A1ATP1B1
SCHEMBL9796770 0.85 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL11260756 0.83 ALDH1A1 (0.39) ALDH1A1LMNATSHR
SCHEMBL701301 0.82 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL3197862 0.78 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL11297557 0.73 ALDH1A1 (0.37) ALDH1A1LMNATSHR
SCHEMBL5345898 0.73
SCHEMBL11440316 0.72 LMNA (0.35) ALDH1A1LMNATSHR
SCHEMBL11162581 0.69 ALDH1A1 (0.39) ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339138-B Ester compound and use thereof 住友化学株式会社 2025-02-11 CN disclosed
CN-118339138-A Ester compound and use thereof 住友化学株式会社 2024-07-12 CN disclosed
US-4767882-A Tetrahydronaphthalene derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-30 US disclosed
EP-0071006-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-18 EP disclosed
EP-0071006-A2 Tetrahydronaphthalene derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-02-09 EP disclosed