SCHEMBL22129288

SCHEMBL22129288

CC(=O)OCC(O)C(O)(C(C)=O)C(O)(C(C)=O)C(O)C=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.30
PGD P52209 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
SCHEMBL28557963 0.76 USP2 (0.33) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL29645196 0.76 USP2 (0.33) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL28564754 0.74
SCHEMBL30763279 0.72 TDP1 (0.33) TDP1LMNAALDH1A1HSD17B10
SCHEMBL28403501 0.72 TDP1 (0.33) TDP1LMNAALDH1A1HSD17B10
SCHEMBL31079522 0.71
SCHEMBL21753645 0.69 TDP1 (0.31) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL30346659 0.69 TDP1 (0.31) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL28914556 0.69 TDP1 (0.31) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL30346501 0.69 TDP1 (0.31) TDP1USP2CYP3A4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020125307-A1 METHOD FOR CHEMICAL SYNTHESIS OF PSEUDOMONAS AERUGINOSA O11 SEROTYPE O ANTIGEN OLIGOSACCHARIDE 江南大学 2020-06-25 WO claimed
CN-109627270-B Chemical synthesis method of Pseudomonas aeruginosa O11 serotype O antigen oligosaccharide 江南大学 2020-12-29 CN disclosed
WO-2020125307-A1 METHOD FOR CHEMICAL SYNTHESIS OF PSEUDOMONAS AERUGINOSA O11 SEROTYPE O ANTIGEN OLIGOSACCHARIDE 江南大学 2020-06-25 WO disclosed