SCHEMBL21701360

SCHEMBL21701360

C=C(C(=O)O)C1CCC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.42
SLC1A2 P43004 4/20 0.37
SLC1A1 P43005 3/20 0.37
GABRR2 P28476 1/20 0.36
PEPD P12955 1/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
GRM5 P41594 1/20 0.33
PMP22 Q01453 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
GRM4 Q14833 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6651427 0.81
SCHEMBL352246 0.80 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL7150608 0.80 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL2135258 0.80 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL20346208 0.80 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL6938207 0.80 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL709492 0.80 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL339332 0.80 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL4979720 0.78 SMN1; SMN2 (0.40)
Hydrochloric Acid SCHEMBL8452138 0.76 GABRR1 (0.56) GABRR1SLC1A2SLC1A1GABRR2PEPD

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
WO-2020030826-A1 COMPOUNDS FOR MODULATION AND AS FUNCTIONAL REPLACEMENT OF ALPHA-KETOGLUTARIC ACID (2OG)-DEPENDENT OXYGENASES HOMANN THOMAS MELCHIOR (DE) 2020-02-13 WO disclosed