SCHEMBL4742469

SCHEMBL4742469

CCCCCCC(=O)c1ccsc1-c1sc(C(=O)CCCCCC)c(-c2cccs2)c1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD17B3 P37058 5/20 0.34

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 0.74 HPGD (0.51) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL9412932 0.74 HPGD (0.48) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL9412965 0.73 HPGD (0.49) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL9413139 0.72 HPGD (0.47) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL4742470 0.70 ALDH1A1 (0.40) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL1896293 0.70 ALDH1A1 (0.57) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL28404876 0.68 HSD17B3 (0.56) HPGDALDH1A1MAPTHTTMEN1
SCHEMBL6419717 0.68 ALDH1A1 (0.59) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL8522699 0.67 CA2 (0.55) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL23859828 0.66 HPGD (0.73) HPGDALDH1A1MAPTHTTMEN1

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
WO-2008105816-A2 GATE DIELECTRIC STRUCTURES, ORGANIC SEMICONDUCTORS, THIN FILM TRANSISTORS AND RELATED METHODS NORTHWESTERN UNIVERSITY (US) 2008-09-04 WO disclosed