SCHEMBL6705254

SCHEMBL6705254

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.33
SAE1 Q9UBE0 1/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PLTP P55058 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
POLB P06746 1/20 0.31
PI4KB Q9UBF8 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
SCHEMBL7683689 0.95 TRPV4 (0.35) TRPV4SAE1MAPTPDE4APDE4B
SCHEMBL6702896 0.94 MAPT (0.34) TRPV4SAE1MAPTALDH1A1HPGD
SCHEMBL7686931 0.90 TRPV4 (0.35) TRPV4SAE1MAPTPDE4APDE4B
SCHEMBL6703725 0.89 MAPT (0.34) TRPV4MAPTALDH1A1HPGDPLTP
SCHEMBL6704667 0.89 TRPV4 (0.33) TRPV4SAE1MAPTALDH1A1HPGD
SCHEMBL6704419 0.88 MAPT (0.39) TRPV4MAPTALDH1A1HPGDPLTP
SCHEMBL7679717 0.88 MEN1 (0.40) TRPV4MAPTALDH1A1HPGDPLTP
SCHEMBL7688378 0.87 MEN1 (0.38) TRPV4MAPTPDE4APDE4BPDE4C
SCHEMBL7688220 0.87 TRPV4 (0.35) TRPV4MAPTPLTPTP53LMNA
SCHEMBL6705251 0.86 SAE1 (0.34) SAE1MAPTALDH1A1HPGDTP53

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