SCHEMBL6704419

SCHEMBL6704419

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(Cl)cc3OC)c(CCC3CCCCC3)s2)c(C)c2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
ALDH1A1 P00352 4/20 0.39
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 2/20 0.35
PLTP P55058 2/20 0.34
TRPV4 Q9HBA0 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 2/20 0.33
PI4KB Q9UBF8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HK1 P19367 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
SCHEMBL6702247 0.95 RXFP1 (0.37) MAPTALDH1A1RXFP1PLTPTRPV4
SCHEMBL6703995 0.93 MAPT (0.41) MAPTALDH1A1RXFP1HSD17B10PLTP
SCHEMBL6705254 0.88 TRPV4 (0.33) MAPTALDH1A1RXFP1PLTPTRPV4
SCHEMBL6703725 0.88 MAPT (0.34) MAPTALDH1A1RXFP1PLTPTRPV4
SCHEMBL6699876 0.88 PTGDR2 (0.35) MAPTALDH1A1RXFP1PLTPTRPV4
SCHEMBL7087093 0.87 MAPT (0.39) MAPTALDH1A1RXFP1HSD17B10HPGD
SCHEMBL6704678 0.86 MAPT (0.39) MAPTALDH1A1RXFP1HSD17B10HPGD
SCHEMBL27581733 0.86 TRPV4 (0.34) MAPTALDH1A1PLTPTRPV4HPGD
SCHEMBL7686931 0.83 TRPV4 (0.35) MAPTPLTPTRPV4TP53LMNA
SCHEMBL7683689 0.83 TRPV4 (0.35) MAPTRXFP1PLTPTRPV4TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed