SCHEMBL5698981

SCHEMBL5698981

CCCCCCCCCCCCCCCC(=O)OC(CONC(=N)c1cccnc1)CN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TLR2 O60603 1/20 0.42
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
UGCG Q16739 2/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ESR1 P03372 2/20 0.38
TBXAS1 P24557 1/20 0.37
POLB P06746 2/20 0.37
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Hydrochloric Acid SCHEMBL3066120 0.99 GAA (0.48) GAATLR2LMNAHTTALDH1A1
SCHEMBL5698982 0.83 GAA (0.47) GAATLR2LMNAHTTALDH1A1
SCHEMBL3074051 0.83 DRD4 (0.44) LMNAPOLBNPC1
Hydrochloric Acid SCHEMBL3066123 0.82 GAA (0.48) GAATLR2LMNAHTTALDH1A1
Hydrochloric Acid SCHEMBL3078515 0.81 GAA (0.48) GAATLR2LMNAHTTALDH1A1
Hydrochloric Acid SCHEMBL3078513 0.81 GAA (0.48) GAATLR2LMNAHTTALDH1A1
Hydrochloric Acid SCHEMBL3070316 0.80 ALDH1A1 (0.43) GAALMNAHTTALDH1A1POLB
SCHEMBL3066148 0.79 KMT2A (0.42) GAALMNAHTTALDH1A1POLB
Maleic Acid SCHEMBL5698937 0.79 DRD4 (0.41) LMNAPOLB
SCHEMBL3074123 0.79 ALDH1A1 (0.43) GAALMNAHTTALDH1A1NPC1

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-0966283-B1 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING DISEASES RESULTING FROM THE DAMAGING OF THE VASCULAR ENDOTHELIAL CELLS CYTRX CORP (US) 2006-06-14 EP claimed
EP-0801649-A2 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-10-22 EP disclosed
WO-1997016439-A1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF Biorex Kutató és Fejlesztó Rt. (HU) 1997-05-09 WO disclosed