SCHEMBL6702895

SCHEMBL6702895

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(C)cc3OC)c(C(C)C3CCCCC3)s2)cc2c(C)c(C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 3/20 0.33
LMNA P02545 1/20 0.33
HK1 P19367 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
SAE1 Q9UBE0 2/20 0.33
UBA2 Q9UBT2 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
DUSP3 P51452 1/20 0.31
ROCK2 O75116 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
PI4KB Q9UBF8 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
SCHEMBL6705251 0.94 SAE1 (0.34) CHRM4MAPTALDH1A1HSD17B10LMNA
SCHEMBL6704665 0.89 CHRM4 (0.33) CHRM4MAPTALDH1A1HSD17B10LMNA
SCHEMBL6702438 0.89 MAPT (0.38) CHRM4MAPTALDH1A1HSD17B10LMNA
SCHEMBL6703993 0.88 MAPT (0.42) CHRM4MAPTALDH1A1HSD17B10LMNA
SCHEMBL7679774 0.87 SAE1 (0.35) CHRM4SAE1UBA2TP53ROCK2
SCHEMBL6700553 0.86 CHRM4 (0.33) CHRM4MAPTALDH1A1SAE1UBA2
SCHEMBL6702896 0.85 MAPT (0.34) CHRM4MAPTALDH1A1HSD17B10LMNA
SCHEMBL7686588 0.84 F10 (0.36) CHRM4MAPTALDH1A1LMNATP53
SCHEMBL6704664 0.83 SAE1 (0.33) CHRM4MAPTALDH1A1HSD17B10LMNA
SCHEMBL6702793 0.83 MAPT (0.37) MAPTALDH1A1GAATP53DUSP3

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