SCHEMBL8944072

SCHEMBL8944072

CCCCCCOC(=O)Cc1cc(O)n2ncnc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G2A P14555 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL8944404 0.82 HTT (0.40) HTTGAASMN1; SMN2L3MBTL1NAAA
SCHEMBL3005332 0.66 NAAA (0.47) PLA2G2ANAAAALDH1A1LMNAKDM4E
SCHEMBL3005045 0.66 NAAA (0.47) PLA2G2ANAAAALDH1A1LMNAKDM4E
SCHEMBL2999894 0.66 NAAA (0.47) PLA2G2ANAAAALDH1A1LMNAKDM4E
SCHEMBL22471828 0.65 HSP90AB1 (0.54) NAAAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22471842 0.65 HSP90AB1 (0.54) NAAAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22471833 0.65 HSP90AB1 (0.54) NAAAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22471808 0.65 HSP90AB1 (0.54) NAAAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22471805 0.65 HSP90AB1 (0.54) NAAAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22471796 0.65 HSP90AB1 (0.54) NAAAESR1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480716-A MULTILAYER ELEMENT WITH SUPPORT AND MAGNETIC LAYER WITH FERROMAGNETIC METALS FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed