SCHEMBL5698982

SCHEMBL5698982

CCCCCCCCCCCCCCCC(=O)OC(CON=C(N)c1cccnc1)CN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 4/20 0.41
TLR2 O60603 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TBXAS1 P24557 2/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
MAPT P10636 1/20 0.38

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 SCHEMBL3066123 0.99 GAA (0.48) GAAKMT2AALDH1A1LMNATLR2
Hydrochloric Acid SCHEMBL3078513 0.89 GAA (0.48) GAAALDH1A1LMNATLR2TBXAS1
Hydrochloric Acid SCHEMBL3078515 0.89 GAA (0.48) GAAALDH1A1LMNATLR2TBXAS1
SCHEMBL5698981 0.83 GAA (0.47) GAAALDH1A1LMNATLR2TBXAS1
SCHEMBL3074056 0.83 LMNA (0.47) KMT2AALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL3066120 0.82 GAA (0.48) GAAALDH1A1LMNATLR2TBXAS1
Hydrochloric Acid SCHEMBL3070319 0.80 ALDH1A1 (0.43) GAAKMT2AALDH1A1LMNAKDM4E
SCHEMBL3066151 0.79 KMT2A (0.57) KMT2AALDH1A1LMNAKDM4EHTT
SCHEMBL3074128 0.79 ALDH1A1 (0.41) KMT2AALDH1A1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL3070494 0.78 RAB9A (0.56) GAAKMT2AALDH1A1LMNARAB9A

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