SCHEMBL11633366

SCHEMBL11633366

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.34
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
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
SCHEMBL11633361 0.94 PRSS1 (0.36) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL12413765 0.80 ALDH1A1 (0.35) ALDH1A1POLBMAPT
SCHEMBL3849343 0.77 PRKCA (0.38) PRKCA
SCHEMBL11216426 0.75 ALDH1A1 (0.37) ALDH1A1POLBMAPT
SCHEMBL11366605 0.75 CYP2C9 (0.40) ALDH1A1POLBMAPT
SCHEMBL7933222 0.75 ALDH1A1 (0.37) ALDH1A1POLBMAPT
SCHEMBL21363305 0.74 MMP8 (0.38) PRKCAPRSS1CTSGCTRB1CMA1
SCHEMBL11757494 0.73 ALDH1A1 (0.40) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL882160 0.72 ALDH1A1 (0.40) ALDH1A1POLBMAPT
SCHEMBL7934757 0.72 ALDH1A1 (0.40) ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4092270-A MINERAL ACID-TREATED TANTALUM, TITANIUM, NIOBIUM OR ZIRCONIUM OXIDE-SILICA GEL COMPLEX EASTMAN KODAK COMPANY (US) 1978-05-30 US disclosed
US-4035389-A ISOANHYDRIDES, FORMALDEHYDE EASTMAN KODAK COMPANY (US) 1977-07-12 US disclosed
US-4024080-A Production of 2,2-disubstituted propiolactones EASTMAN KODAK COMPANY (US) 1977-05-17 US disclosed
US-3931237-A Production of 2,2-disubstituted propiolactones EASTMAN KODAK COMPANY (US) 1976-01-06 US disclosed