SCHEMBL6704665

SCHEMBL6704665

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(C)cc3OC)c(C(C)C3CCCCC3)s2)cc2cc(C)c(C)cc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.33
MAPT P10636 4/20 0.31
SAE1 Q9UBE0 2/20 0.31
UBA2 Q9UBT2 1/20 0.31
ROCK2 O75116 2/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 3/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PI4KB Q9UBF8 3/20 0.30
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6704664 0.94 SAE1 (0.33) CHRM4MAPTSAE1ROCK2ALDH1A1
SCHEMBL6702438 0.92 MAPT (0.38) CHRM4MAPTALDH1A1KDM4ETSHR
SCHEMBL6702895 0.89 CHRM4 (0.35) CHRM4MAPTSAE1UBA2ROCK2
SCHEMBL6700553 0.89 CHRM4 (0.33) CHRM4MAPTSAE1UBA2ROCK2
SCHEMBL7686588 0.87 F10 (0.36) CHRM4MAPTALDH1A1KDM4EKMT2A
SCHEMBL6702793 0.86 MAPT (0.37) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL7684403 0.86 F10 (0.35) CHRM4MAPTSAE1UBA2ALDH1A1
SCHEMBL6703723 0.86 F10 (0.36) MAPTALDH1A1KMT2ATP53LMNA
SCHEMBL6704668 0.84 TRPV4 (0.34) CHRM4MAPTSAE1UBA2ROCK2
SCHEMBL7679713 0.84 MEN1 (0.40) KMT2A

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