SCHEMBL7023447

SCHEMBL7023447

COC(=O)CCC1=C(C)C(=O)C(C)=C(C(C)(C)CC(=O)Oc2ccc(N(CCCl)CCCl)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC6 Q9UBN7 2/20 0.33
GMNN O75496 1/20 0.33
CYP2D6 P10635 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
CA12 O43570 6/20 0.33

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
SCHEMBL7652051 0.90 GMNN (0.32) LMNAALDH1A1MAPTHDAC6GMNN
SCHEMBL7024459 0.90 CA12 (0.33) LMNAALDH1A1MAPTGMNNCYP2D6
SCHEMBL7020871 0.86 EGFR (0.36) LMNAALDH1A1MAPTKMT2AHDAC6
SCHEMBL7023727 0.86 EGFR (0.37) LMNAALDH1A1MAPTHDAC6GMNN
SCHEMBL7026779 0.83 HDAC6 (0.33) LMNAALDH1A1MAPTHDAC6GMNN
SCHEMBL7027358 0.82 EGFR (0.35) LMNAALDH1A1MAPTKMT2AGMNN
SCHEMBL7033196 0.80 EGFR (0.31) EGFRERBB2
SCHEMBL7030587 0.79 EGFR (0.34) LMNAALDH1A1MAPTKMT2AHDAC6
SCHEMBL7025263 0.79 EGFR (0.34) LMNAALDH1A1MAPTKMT2AHDAC6
SCHEMBL7029176 0.78 PTPN1 (0.34) LMNAALDH1A1MAPTHDAC6GMNN

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-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US disclosed