SCHEMBL9412967

SCHEMBL9412967

CCCCCCCCC(=O)c1sccc1-c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B3 P37058 5/20 0.41
GAA P10253 1/20 0.40
KEAP1 Q14145 1/20 0.40
HDAC1 Q13547 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL9412965 0.99 HPGD (0.49) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL9412932 0.83 HPGD (0.48) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL9413139 0.81 HPGD (0.47) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL28404876 0.76 HSD17B3 (0.56) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL1896293 0.75 ALDH1A1 (0.57) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL1156997 0.75 POLB (0.46) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL5067068 0.75 ALDH1A1 (0.40) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL4742469 0.74 HPGD (0.46) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL23859828 0.74 HPGD (0.73) HPGDALDH1A1MAPTMEN1HTT
SCHEMBL8972518 0.74 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