SCHEMBL6702797

SCHEMBL6702797

COc1ccc2c(c1)cc(C(=O)Nc1nc(-c3cc(OC)c(C)cc3OC)c(CCC3CCCCC3)s1)n2CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TRPV4 Q9HBA0 5/20 0.39
MAPT P10636 6/20 0.36
TP53 P04637 4/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL6702441 0.94 MAPT (0.39) GAATRPV4MAPTTP53DYRK1A
SCHEMBL7686591 0.94 TRPV4 (0.36) GAATRPV4MAPTTP53ALDH1A1
SCHEMBL7684176 0.93 TRPV4 (0.38) GAATRPV4MAPTTP53DYRK1A
SCHEMBL7684903 0.92 KMT2A (0.42) GAATRPV4MEN1KMT2APOLB
Trifluoroacetic Acid SCHEMBL7682405 0.91 ATM (0.35) GAATRPV4MAPTTP53ALDH1A1
SCHEMBL7679779 0.88 TRPV4 (0.37) GAATRPV4MEN1KMT2APOLB
SCHEMBL6703653 0.87 MEN1 (0.37) TRPV4MAPTTP53ALDH1A1HPGD
SCHEMBL7684406 0.87 MAPT (0.34) TRPV4MAPTTP53ALDH1A1HPGD
SCHEMBL6702802 0.86 GAA (0.39) GAATRPV4MAPTTP53DYRK1A
SCHEMBL7679752 0.86 MEN1 (0.38) TRPV4MAPTTP53SMN1; SMN2MEN1

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