SCHEMBL6276428

SCHEMBL6276428

CC1=C(C(O)CC(=O)O)C(=O)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPP2CA P67775 6/20 0.39
PPP5C P53041 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
PPP1CC P36873 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
CDC25B P30305 6/20 0.30
CDC25A P30304 5/20 0.30
CDC25C P30307 4/20 0.30
S100A4 P26447 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
SCHEMBL3448381 0.60 CTSA (0.47)
SCHEMBL279917 0.59 FFAR1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL186610 0.59 GABBR2 (0.55) SMN1; SMN2
SCHEMBL904490 0.59 GABBR2 (0.55) SMN1; SMN2
SCHEMBL904476 0.59 GABBR2 (0.55) SMN1; SMN2
3-Hydroxybutyric Acid, (+/-)- SCHEMBL27218559 0.58 SLC22A6 (0.53) SLC22A6SMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL2341560 0.57 GABBR2 (0.53) SMN1; SMN2
Hydrochloric Acid SCHEMBL1373206 0.57 GABBR2 (0.53) SMN1; SMN2
Hydrochloric Acid SCHEMBL1374836 0.57 GABBR2 (0.53) SMN1; SMN2
Malic Acid SCHEMBL27676626 0.57 SMN1; SMN2 (0.79) SLC22A6SMN1; SMN2MAPT

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-2005118797-A2 BIOSYNTHETIC GENE CLUSTER FOR TAUTOMYCETIN KOSAN BIOSCIENCES INCORPORATED (US) 2005-12-15 WO disclosed