SCHEMBL7092958

SCHEMBL7092958

C1CC2CC2C1.CCC1(c2cc(OC)c(Cl)cc2OC)CSC(NC(=O)c2cc3cc(C)cc(C)c3n2Cc2ccc(C(=O)OC)cc2)=N1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE5A O76074 5/20 0.33
MAPT P10636 3/20 0.33
DCTPP1 Q9H773 1/20 0.31
KMT2A Q03164 2/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6702291 0.89
SCHEMBL6703571 0.80
SCHEMBL6705261 0.78 MAPT (0.30) MAPT
SCHEMBL6704674 0.74 MAPT (0.31) MAPT
SCHEMBL27598406 0.72 PLTP (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6704413 0.72 MAPT (0.31) MAPT
SCHEMBL27598408 0.71 MAPT (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7092957 0.71 TRPV4 (0.36) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6701383 0.67 SAE1 (0.34) PDE4BMAPTKMT2AALDH1A1
SCHEMBL6703128 0.65 GPR35 (0.47) MAPTDCTPP1KMT2AMEN1ALDH1A1

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