SCHEMBL9638993

SCHEMBL9638993

CC(C)C(=O)O.CC(C)CC(C)(C)COC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL954672 0.94 MMP8 (0.38) MMP8ALDH1A1POLBMAPT
SCHEMBL7934757 0.81 ALDH1A1 (0.40) MMP8ALDH1A1POLBMAPT
SCHEMBL17559986 0.80 MMP8 (0.37) MMP8
SCHEMBL14990897 0.79 MMP8 (0.39) MMP8ALDH1A1
SCHEMBL2916859 0.78 MMP8 (0.38) MMP8ALDH1A1
SCHEMBL3958589 0.77 ALDH1A1 (0.33) ALDH1A1POLBMAPT
SCHEMBL13686739 0.76 MMP8 (0.41) MMP8POLB
SCHEMBL10661842 0.76 MMP8 (0.37) MMP8
SCHEMBL19534572 0.76 SLC7A5 (0.35) MMP8
SCHEMBL15933348 0.75 ALDH1A1 (0.37) MMP8ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305965-B1 PROCESS FOR PREPARING ESTERS OF UNSATURATED ALCOHOLS UNION CARBIDE CORPORATION (US) 1992-09-02 EP disclosed
US-4970334-A DEHYDRATION OF SATURATED ESTERS WITH ACID CATALYSTS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-11-13 US disclosed
EP-0305965-A1 Process for preparing esters of unsaturated alcohols UNION CARBIDE CORPORATION (US) 1989-03-08 EP disclosed