SCHEMBL4397767

SCHEMBL4397767

CCC(C)CCOCC(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.34
ACE2 Q9BYF1 2/20 0.33
LMNA P02545 1/20 0.33
ELANE P08246 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 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
SCHEMBL4423129 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MAPTCDC25A
SCHEMBL15382607 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAPTCDC25A
SCHEMBL15382530 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAPTCDC25A
SCHEMBL13660244 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAPTCDC25A
SCHEMBL8962217 0.71 CDC25A (0.53) ALDH1A1KDM4EHSD17B10MAPTCDC25A
SCHEMBL16846594 0.71 ALDH1A1 (0.50) ALDH1A1POLBMAPK1ELANE
SCHEMBL11461527 0.69 PLA2G4B (0.50) ALDH1A1L3MBTL1TSHR
SCHEMBL8962350 0.69 HPGD (0.54) ALDH1A1KDM4EHSD17B10MAPTCDC25A
SCHEMBL27908787 0.68 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPTL3MBTL1TDP1
SCHEMBL31186552 0.68 HSD17B10 (0.57) ALDH1A1KDM4EHSD17B10CDC25ACDC25B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447779-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2012-05-02 EP disclosed