SCHEMBL6702896

SCHEMBL6702896

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(C)cc3OC)c(CCC3CCCCC3)s2)cc2c(C)c(C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
TRPV4 Q9HBA0 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
PLTP P55058 2/20 0.34
CHRM4 P08173 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
HK1 P19367 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
PIK3C2G O75747 1/20 0.31
DUSP3 P51452 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
SCHEMBL6705254 0.94 TRPV4 (0.33) MAPTTRPV4ALDH1A1HPGDPLTP
SCHEMBL6702441 0.89 MAPT (0.39) MAPTTRPV4ALDH1A1HPGDHSD17B10
SCHEMBL7682217 0.89 TRPV4 (0.38) MAPTTRPV4ALDH1A1HPGDPLTP
SCHEMBL6704668 0.89 TRPV4 (0.34) MAPTTRPV4ALDH1A1HPGDPLTP
SCHEMBL7683689 0.89 TRPV4 (0.35) MAPTTRPV4PLTPLMNASAE1
SCHEMBL6703995 0.88 MAPT (0.41) MAPTTRPV4ALDH1A1HPGDPLTP
SCHEMBL7679779 0.86 TRPV4 (0.37) TRPV4PLTPSAE1UBA2GAA
SCHEMBL6702895 0.85 CHRM4 (0.35) MAPTALDH1A1CHRM4HSD17B10LMNA
SCHEMBL6700555 0.85 TRPV4 (0.35) MAPTTRPV4ALDH1A1HPGDPLTP
SCHEMBL7686591 0.84 TRPV4 (0.36) MAPTTRPV4ALDH1A1HPGDPLTP

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