SCHEMBL7063441

SCHEMBL7063441

CC(C)c1ccc(SCc2ccccc2CSc2ccc(C(C)C)cc2C(C)C)c(C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.34
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KIF11 P52732 2/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
FABP5 Q01469 1/20 0.33
TOP2A P11388 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL7063036 0.81 FABP3 (0.38) FABP3FABP4MAPTPKMFABP5
SCHEMBL7064297 0.79 FABP3 (0.37) FABP3FABP4MAPTPKMFABP5
Hydrochloric Acid SCHEMBL7061154 0.78 FABP3 (0.36) FABP3FABP4MAPTPKMFABP5
SCHEMBL7061158 0.76 FABP3 (0.34) FABP3FABP4MAPTPKMFABP5
SCHEMBL23901710 0.75 ALDH1A1 (0.33) ALOX12HIF1AALDH1A1GAAHTT
SCHEMBL7064997 0.75 LMNA (0.35) ALOX12HIF1AALDH1A1GAAHTT
SCHEMBL12248238 0.74 ALOX12 (0.41) ALOX12HIF1AALDH1A1GAAHTT
SCHEMBL9440673 0.72 ALOX12 (0.39) ALOX12HIF1AALDH1A1GAAHTT
SCHEMBL23901712 0.71 ALDH1A1 (0.38) ALOX12HIF1AALDH1A1GAAHTT
SCHEMBL30714286 0.69 POLB (0.42) ALDH1A1SLC6A4MAOAMAOB

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-20030216246-A1 Transition metal complexes containing sulfur ligands, and polylefin production processes using them COOK JESSICA A (US) 2003-11-20 US disclosed