SCHEMBL7092957

SCHEMBL7092957

COC(=O)c1ccc(Cn2c(C(=O)Nc3nc(-c4cc(OC)c(Cl)cc4OC)c(CCC4CCCCC4)s3)cc3cc(C)cc(C)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PLTP P55058 2/20 0.34
NLRP3 Q96P20 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.33
PI4KB Q9UBF8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DCTPP1 Q9H773 1/20 0.32

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
SCHEMBL27598406 0.94 PLTP (0.41) TRPV4MAPTLMNATP53PDE4A
SCHEMBL29403637 0.88 TRPV4 (0.36) TRPV4MAPTLMNATP53PLTP
SCHEMBL6698972 0.88 TRPV4 (0.34) TRPV4MAPTLMNATP53PLTP
SCHEMBL1008694 0.88 TRPV4 (0.36) TRPV4MAPTLMNATP53PLTP
SCHEMBL6701378 0.88 PPM1D (0.36) TRPV4MAPTTP53PDE4BPLTP
SCHEMBL7688594 0.87 TRPV4 (0.34) TRPV4MAPTLMNATP53PLTP
Water SCHEMBL7685985 0.86 TRPV4 (0.33) TRPV4MAPTLMNATP53PLTP
SCHEMBL6703576 0.86 MAPT (0.36) TRPV4MAPTTP53PLTPSMN1; SMN2
SCHEMBL27581687 0.85 PPM1D (0.36) TRPV4MAPTPLTPSMN1; SMN2
Diethylamine SCHEMBL7031731 0.85 TRPV4 (0.34) TRPV4MAPTLMNATP53PLTP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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