SCHEMBL7087093

SCHEMBL7087093

C1CC2CC2C1.CCc1sc(NC(=O)c2c(C)c3cc(C)ccc3n2CC(=O)OC)nc1-c1cc(OC)c(Cl)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
ALDH1A1 P00352 3/20 0.39
RXFP1 Q9HBX9 2/20 0.37
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 4/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 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
SCHEMBL6702250 0.95 RXFP1 (0.37) MAPTALDH1A1RXFP1GAAPOLB
SCHEMBL6699878 0.88 PTGDR2 (0.35) MAPTALDH1A1RXFP1GAAPOLB
SCHEMBL7091394 0.88 MAPT (0.34) MAPTALDH1A1RXFP1POLBTP53
SCHEMBL6704419 0.87 MAPT (0.39) MAPTALDH1A1RXFP1HSD17B10TP53
SCHEMBL6704678 0.83 MAPT (0.39) MAPTALDH1A1RXFP1HSD17B10GAA
SCHEMBL6702247 0.82 RXFP1 (0.37) MAPTALDH1A1RXFP1POLBTP53
SCHEMBL6703995 0.80 MAPT (0.41) MAPTALDH1A1RXFP1HSD17B10GAA
SCHEMBL6704682 0.78 MAPT (0.36) MAPTALDH1A1RXFP1HSD17B10GAA
SCHEMBL6702244 0.78 RXFP1 (0.37) MAPTALDH1A1RXFP1POLBTP53
SCHEMBL6703993 0.77 MAPT (0.42) MAPTALDH1A1RXFP1HSD17B10GAA

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