SCHEMBL9412932

SCHEMBL9412932

CCCCCCCCC(=O)c1scc(-c2cccs2)c1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KEAP1 Q14145 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
HIF1A Q16665 1/20 0.39
PLA2G4A P47712 1/20 0.39
HSD17B3 P37058 5/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9413139 0.99 HPGD (0.47) HPGDALDH1A1KDM4EMAPTGAA
SCHEMBL9412967 0.83 HPGD (0.51) HPGDALDH1A1KDM4EMAPTGAA
SCHEMBL9412965 0.81 HPGD (0.49) HPGDALDH1A1KDM4EMAPTGAA
SCHEMBL4742469 0.74 HPGD (0.46) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL28404876 0.73 HSD17B3 (0.56) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL1896293 0.72 ALDH1A1 (0.57) HPGDALDH1A1KDM4EMAPTGAA
SCHEMBL23859828 0.71 HPGD (0.73) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL3183371 0.71 HPGD (0.73) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL8972518 0.71 HPGD (0.73) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL2787821 0.71 HPGD (0.73) HPGDALDH1A1MAPTMEN1HTT

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
EP-0602654-A1 Efficient electron-donating groups for nonlinear optical applictions ENICHEM S.p.A. (IT) 1994-06-22 EP disclosed