SCHEMBL8054483

SCHEMBL8054483

CC(=O)OCc1ncc2sccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 2/20 0.37
LMNA P02545 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 0.35
CHEK1 O14757 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MAPT P10636 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8052931 0.77 ALDH1A1 (0.47) HPGDKDM4EALDH1A1HSD17B10RECQL
SCHEMBL8053665 0.70 KDM4E (0.43) KDM4EALDH1A1HSD17B10MAPK1LMNA
SCHEMBL2327350 0.69 ALDH1A1 (0.32) ALDH1A1LMNAPOLB
SCHEMBL8052772 0.68 KDM4E (0.32) HPGDKDM4EALDH1A1HSD17B10RECQL
SCHEMBL8052900 0.67 CHEK1 (0.34) HPGDKDM4EALDH1A1HSD17B10RECQL
SCHEMBL8056679 0.67 ALDH1A1 (0.45) HPGDKDM4EALDH1A1HSD17B10RECQL
SCHEMBL10994393 0.66 NPC1 (0.67) HPGDALDH1A1LMNANPC1RAB9A
SCHEMBL7632455 0.65 DYRK1A (0.39) HPGDKDM4EALDH1A1HSD17B10RECQL
SCHEMBL7496405 0.65 CA2 (0.33) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL8052737 0.65 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19

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
EP-0669336-B1 NOVEL CEPHEM DERIVATIVES MEIJI SEIKA CO (JP) 2000-05-17 EP disclosed
US-5663162-A BACTERICIDES AND ANTIBIOTICS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
EP-0669336-A1 NOVEL CEPHEM DERIVATIVE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed