SCHEMBL3948147

SCHEMBL3948147

CC(C)CC1CC=CC(C(=O)O)C1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APEX1 P27695 1/20 0.31
ABAT P80404 1/20 0.30

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
SCHEMBL8465026 0.86 POLB (0.31) POLBTDP1APEX1ABAT
SCHEMBL2816196 0.82 POLB (0.34) POLBTDP1CTDSP1APEX1ABAT
SCHEMBL3937525 0.79 POLB (0.32) ALDH1A1POLBTDP1CTDSP1APEX1
SCHEMBL2066943 0.79
SCHEMBL8679243 0.78
SCHEMBL3941543 0.77 ALOX5 (0.36) ALDH1A1POLBTDP1CTDSP1
SCHEMBL6383884 0.75 POLB (0.31) POLBTDP1APEX1
SCHEMBL8152351 0.74 ALOX5 (0.44) ALDH1A1POLB
SCHEMBL127482 0.72 POLB (0.43) ALDH1A1POLBTDP1CTDSP1APEX1
SCHEMBL11782756 0.72 POLB (0.37) POLBTDP1CTDSP1APEX1ABAT

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-1385816-B1 METHOD FOR PURIFYING AN ORGANIC SOLVENT FOR THE PURPOSE OF ABSORPTION OF MALEIC ACID ANHYDRIDE BASF SE (DE) 2009-04-15 EP disclosed
EP-1385816-A1 METHOD FOR PURIFYING AN ORGANIC SOLVENT FOR THE PURPOSE OF ABSORPTION OF MALEIC ACID ANHYDRIDE BASF AKTIENGESELLSCHAFT (DE) 2004-02-04 EP disclosed
WO-2002085834-A1 METHOD FOR PURIFYING AN ORGANIC SOLVENT FOR THE PURPOSE OF ABSORPTION OF MALEIC ACID ANHYDRIDE BASF AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed