SCHEMBL7201838

SCHEMBL7201838

NC(CO)(CO)C(O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.42
GABRR1 P24046 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PGD P52209 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.32
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
CYP2C19 P33261 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 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
SCHEMBL25660449 0.73 PGD (0.47) SLC22A6GABRR1LMNASMN1; SMN2PGD
Malic Acid SCHEMBL7492967 0.68 SMN1; SMN2 (0.65) SLC22A6GABRR1LMNASMN1; SMN2TDP1
SCHEMBL10779877 0.68 PGD (0.39) SLC22A6GABRR1LMNASMN1; SMN2PGD
SCHEMBL15204261 0.67 TSHR (0.46) LMNA
SCHEMBL4899114 0.67 CYP2C19 (0.54) SLC22A6GABRR1LMNASMN1; SMN2PGD
SCHEMBL6805671 0.67 PGD (0.50) SLC22A6GABRR1LMNASMN1; SMN2PGD
SCHEMBL321641 0.67 SLC22A6 (0.48) SLC22A6GABRR1LMNASMN1; SMN2PGD
SCHEMBL21399526 0.67 SLC22A6 (0.48) SLC22A6GABRR1LMNASMN1; SMN2PGD
SCHEMBL667280 0.67 PGD (0.50) SLC22A6GABRR1LMNASMN1; SMN2PGD
SCHEMBL321640 0.67 SLC22A6 (0.48) SLC22A6GABRR1LMNASMN1; SMN2PGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100101-A1 Simultaneous cleaning and decontaminating compositions and methods METREX RESEARCH CORPORATION 2003-05-29 US disclosed
US-20030096720-A1 Simultaneous cleaning and decontaminating compositions and methods METREX RESEARCH CORPORATION 2003-05-22 US disclosed
US-6448062-B1 HYDROGEN PEROXIDE, PERACETIC ACID AND HUMAN PEPSIN OR TRYPSIN FOR SIMULTANEOUSLY CLEANING AND DECONTAMINATING A KIDNEY DIALYZER METREX RESEARCH CORPORATION 2002-09-10 US disclosed
WO-2000026334-A1 SIMULTANEOUS CLEANING AND DECONTAMINATING COMPOSITIONS AND METHODS METREX RESEARCH CORPORATION (US) 2000-05-11 WO disclosed