SCHEMBL6703565

SCHEMBL6703565

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(Br)c(OC)cc3OC)c(CCC3CCCCC3)s2)cc2cc(C)cc(C)c21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PLTP P55058 2/20 0.33
TP53 P04637 2/20 0.33
PI4KB Q9UBF8 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
RORC P51449 2/20 0.31
CYP3A4 P08684 1/20 0.31
SCD O00767 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6703028 0.94 TRPV4 (0.36) TRPV4MAPTPLTPTP53PI4KB
SCHEMBL6700555 0.93 TRPV4 (0.35) TRPV4MAPTALDH1A1HPGDPLTP
SCHEMBL6698972 0.91 TRPV4 (0.34) TRPV4MAPTALDH1A1HPGDPLTP
SCHEMBL6702299 0.87 TRPV4 (0.38) TRPV4MAPTALDH1A1HPGDPLTP
SCHEMBL6703576 0.86 MAPT (0.36) TRPV4MAPTPLTPTP53SCD
SCHEMBL1008694 0.85 TRPV4 (0.36) TRPV4MAPTPLTPTP53PI4KB
SCHEMBL29403637 0.85 TRPV4 (0.36) TRPV4MAPTPLTPTP53PI4KB
SCHEMBL6703562 0.85 MAPT (0.33) TRPV4MAPTALDH1A1TP53PI4KB
SCHEMBL7688594 0.84 TRPV4 (0.34) TRPV4MAPTPLTPTP53PI4KB
SCHEMBL226080 0.84 TRPV4 (0.32) TRPV4PLTPTP53PI4KB

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