SCHEMBL8723463

SCHEMBL8723463

CC(C)(C)C(=O)Oc1ccc(CCNC(=O)OCOC(=O)c2cccnc2)cc1OC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
KMT2A Q03164 6/20 0.43
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9011252 0.85 MAPK1 (0.71) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL8726926 0.77 ADRB2 (0.47) KMT2ASMN1; SMN2GAAMAPTLMNA
SCHEMBL8728521 0.76 CA12 (0.49) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL9404972 0.75 MAPK1 (0.57) MAPK1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8728512 0.74 ADRB2 (0.46) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL8510531 0.74 CHRM5 (0.38) KMT2ANPC1SMN1; SMN2GAAL3MBTL1
SCHEMBL9011269 0.74 MAPK1 (0.76) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL9404946 0.74 MAPK1 (0.56) MAPK1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9404951 0.74 MAPK1 (0.56) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL21510393 0.73 KDM4E (0.52) SMN1; SMN2HSD17B10MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US disclosed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US disclosed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 US disclosed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 EP disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 EP disclosed