SCHEMBL9059911

SCHEMBL9059911

CCC(CC(=O)O)[C@@H](O)Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
MAPT P10636 1/20 0.37
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
FFAR3 O14843 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL5077882 0.87 SLC22A6 (0.45) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL678102 0.87 SLC22A6 (0.45) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL27753421 0.85 SLC22A6 (0.43) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL27945267 0.85 SLC22A6 (0.43) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL1131497 0.81 SLC22A6 (0.36) SLC22A6SMN1; SMN2GPR84MAPTFFAR3
SCHEMBL446451 0.80 SLC22A6 (0.46) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL5078846 0.78 SLC22A6 (0.43) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL17066267 0.78 TDP1 (0.42) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL13403131 0.76 HDAC1 (0.42) SLC22A6GPR84LMNAFFAR3TDP1
SCHEMBL2510902 0.75 SLC22A6 (0.46) SLC22A6SMN1; SMN2GPR84MAPTGABRR1

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-8311025-A None JP disclosed
JP-H08311025-A PRODUCTION OF 4-HYDROXY-2-PYRROLIDONE DAISO CO LTD 1996-11-26 JP disclosed