SCHEMBL8150779

SCHEMBL8150779

C=CC(C)(C)OC(=O)CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44

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
SCHEMBL11055489 0.98 MGAM (0.43) GAAMGAMSIMGAM2
SCHEMBL2961856 0.89 MGAM (0.33) GAAMGAMSIMGAM2
SCHEMBL2961858 0.83 ALOX15 (0.33) GAA
SCHEMBL4672677 0.78 L3MBTL1 (0.30)
SCHEMBL14087276 0.78 ALDH1A1 (0.37)
SCHEMBL4672553 0.77
SCHEMBL8046461 0.77 TRPA1 (0.38)
SCHEMBL4676726 0.77
SCHEMBL11732082 0.75 ALDH1A1 (0.44)
SCHEMBL9808502 0.75 LMNA (0.46) GAA

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
EP-0842917-B1 Process for the preparation of gamma, delta-unsaturated ketones by Carroll-reaction in cyclic carbonates or gamma-lactones as solvent BASF AG (DE) 2000-07-19 EP disclosed
US-5874635-A Preparation of γ, δ-unsaturated ketones by the carroll reaction in cyclic carbonates or γ-lactones BASF AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
EP-0842917-A1 Process for the preparation of gamma, delta-unsaturated by Carroll-reaction in cyclic carbonates or gamma-lactones as solvent BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0001980-B1 PROCESS FOR THE PREPARATION OF HALOGENOVINYL-GAMMA-BUTYROLACTONES, INTERMEDIATES THEREFOR AND THEIR PREPARATION BAYER AG (DE) 1981-05-06 EP disclosed
US-4215050-A Preparation of halogenovinyl-γ-butyrolactones BAYER AKTIENGESELLSCHAFT (DE) 1980-07-29 US disclosed
EP-0001980-A1 Process for the preparation of halogenovinyl-gamma-butyrolactones, intermediates therefor and their preparation BAYER AG (DE) 1979-05-30 EP disclosed