SCHEMBL6681736

SCHEMBL6681736

O=C(Cl)C1CCC(C(=O)OC(=O)C2CCC(C(=O)Cl)CC2C(=O)O)C(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.34
ACE P12821 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
GABRR2 P28476 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
SCHEMBL169047 0.89 GABRR1 (0.44) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL21641650 0.89 GABRR1 (0.44) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL16415207 0.82 GABRR1 (0.46) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL7856444 0.82 GABRR1 (0.43) GABRR1ACESLC1A2SLC1A1GABRR2
SCHEMBL4469497 0.82 GABRR1 (0.43) GABRR1ACESLC1A2SLC1A1GABRR2
SCHEMBL8623877 0.80 AKR1C3 (0.39) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL8619554 0.80 GABRR1 (0.42) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL5070654 0.79 GABRR1 (0.46) GABRR1SLC1A2SLC1A1GABRR2
SCHEMBL4478750 0.79 GABRR1 (0.46) GABRR1SLC1A2SLC1A1GABRR2
SCHEMBL168962 0.79 GABRR1 (0.46) GABRR1SLC1A2SLC1A1GABRR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004262846-A METHOD FOR PRODUCING 4-CHLOROFORMYL-CYCLOHEXANE-1,2-DICARBOXYLIC ANHYDRIDE NEW JAPAN CHEM CO LTD 2004-09-24 JP disclosed
JP-2004203792-A 4-CHLOROFORMYLCYCLOHEXANE-1, 2-DICARBOXYLIC ANHYDRIDE AND METHOD FOR PRODUCING THE SAME NEW JAPAN CHEM CO LTD 2004-07-22 JP disclosed