SCHEMBL6703028

SCHEMBL6703028

COc1cc(OC)c(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.36
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
PLTP P55058 2/20 0.33
SCD O00767 1/20 0.32
GAA P10253 1/20 0.32
PI4KB Q9UBF8 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
RORC P51449 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6703565 0.94 TRPV4 (0.35) TRPV4MAPTTP53PLTPSCD
SCHEMBL1008694 0.91 TRPV4 (0.36) TRPV4MAPTTP53PLTPGAA
SCHEMBL29403637 0.91 TRPV4 (0.36) TRPV4MAPTTP53PLTPGAA
Diethylamine SCHEMBL7031731 0.88 TRPV4 (0.34) TRPV4MAPTTP53PLTPGAA
Trifluoroacetic Acid SCHEMBL30480661 0.88 TRPV4 (0.34) TRPV4MAPTTP53PLTPPI4KB
Trifluoroacetic Acid SCHEMBL226079 0.88 TRPV4 (0.34) TRPV4MAPTTP53PLTPPI4KB
Monoethanolamine SCHEMBL7032257 0.88 TRPV4 (0.34) TRPV4MAPTTP53PLTPPI4KB
SCHEMBL6700555 0.87 TRPV4 (0.35) TRPV4MAPTPLTPPI4KBRORC
Diethanolamine SCHEMBL7021233 0.87 TRPV4 (0.33) TRPV4PLTPPI4KB
Monoethanolamine SCHEMBL7031750 0.87 TRPV4 (0.33) TRPV4PLTPPI4KB

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 4 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
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN 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