SCHEMBL9412965

SCHEMBL9412965

CCCCCC(=O)c1sccc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KEAP1 Q14145 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B3 P37058 6/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL9412967 0.99 HPGD (0.51) HPGDALDH1A1MAPTGAAKEAP1
SCHEMBL9413139 0.82 HPGD (0.47) HPGDALDH1A1MAPTGAAKEAP1
SCHEMBL9412932 0.81 HPGD (0.48) HPGDALDH1A1MAPTGAAKEAP1
SCHEMBL5877488 0.75 KDM4E (0.50) HPGDALDH1A1MAPTGAAKEAP1
SCHEMBL28404876 0.74 HSD17B3 (0.56) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL6419717 0.74 ALDH1A1 (0.59) HPGDALDH1A1MAPTGAAMEN1
SCHEMBL19876943 0.74 POLB (0.47) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL3192172 0.73 HPGD (0.70) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL1896293 0.73 ALDH1A1 (0.57) HPGDALDH1A1MAPTGAAMEN1
SCHEMBL4742469 0.73 HPGD (0.46) 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