SCHEMBL7101332

SCHEMBL7101332

O=S(=O)(O)CC(O)CNC(CO)(CO)CO.O=S(=O)(O)CC(O)CNC(CO)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC22A6 Q4U2R8 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
SCHEMBL23859620 1.00 RAB9A (0.36) RAB9AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL167450 1.00 RAB9A (0.36) RAB9AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL31033120 1.00 RAB9A (0.36) RAB9AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1442777 0.98 RAB9A (0.35) RAB9A
SCHEMBL30737646 0.98 RAB9A (0.35) RAB9A
SCHEMBL9730754 0.89 RAB9A (0.33) RAB9A
SCHEMBL26137952 0.86
SCHEMBL23854787 0.83
Ethyl Acetate SCHEMBL10712191 0.83 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17190698 0.82 RAB9A (0.35) RAB9AKDM4EALDH1A1SMN1; SMN2HSD17B10

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-1339278-A2 AQUEOUS DISINFECTING SYSTEMS Novartis AG (CH) 2003-09-03 EP disclosed
US-6410260-B2 Fibrin glue without fibrinogen and biosealant compositions and methods WORTHAM LEON (US) 2002-06-25 US disclosed
WO-2002043482-A2 AQUEOUS DISINFECTING SYSTEMS NOVARTIS AG (CH) 2002-06-06 WO disclosed