SCHEMBL8487353

SCHEMBL8487353

CCCCCCc1ccc(CCCc2n[nH]c(=S)n2-c2cccc(OC)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.64
GAA P10253 5/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 2/20 0.51
GFER P55789 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
APOBEC3G Q9HC16 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8491176 1.00 CETP (0.64) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL8489836 0.96 CETP (0.61) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL993442 0.94 CETP (0.71) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL993229 0.94 CETP (0.71) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL992553 0.94 CETP (0.71) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL993028 0.94 CETP (0.71) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL8488776 0.90 ALDH1A1 (0.55) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL8491647 0.88 CETP (0.63) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL8491171 0.83 CETP (0.47) CETPGAAHTTALDH1A1SMN1; SMN2
SCHEMBL993375 0.82 CETP (0.72) CETPGAAHTTALDH1A1SMN1; SMN2

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-1999014204-A1 SUBSTITUTED 1,2,4-TRIAZOLES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-03-25 WO disclosed