SCHEMBL28046282

SCHEMBL28046282

O=C1CC(C(=O)O)C(C(=O)Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.44
GABRR2 P28476 1/20 0.33
OAT P04181 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KMO O15229 2/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ABAT P80404 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
APEX1 P27695 1/20 0.31
GRM5 P41594 1/20 0.31
PMP22 Q01453 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL2371479 0.87 GABRR1 (0.48) GABRR1GABRR2MEN1KMT2ALMNA
SCHEMBL2371471 0.87 GABRR1 (0.48) GABRR1GABRR2MEN1KMT2ALMNA
SCHEMBL2370535 0.87 GABRR1 (0.48) GABRR1GABRR2MEN1KMT2ALMNA
SCHEMBL19526286 0.87 GABRR1 (0.48) GABRR1GABRR2MEN1KMT2ALMNA
SCHEMBL9112735 0.87 GABRR1 (0.48) GABRR1GABRR2MEN1KMT2ALMNA
SCHEMBL2371475 0.87 GABRR1 (0.48) GABRR1GABRR2MEN1KMT2ALMNA
SCHEMBL14821724 0.76 GABRR1 (0.39) GABRR1MEN1KMT2ALMNAALDH1A1
SCHEMBL12855800 0.76 MEN1 (0.39) GABRR1MEN1KMT2ALMNAALDH1A1
SCHEMBL7325402 0.71 POLB (0.39) GABRR1MEN1KMT2ALMNAALDH1A1
SCHEMBL7273731 0.71 POLB (0.39) GABRR1MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264226-B Bicyclooctane-1, the 3-derovatives of phenyl-replacement BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 CN disclosed