SCHEMBL4595202

SCHEMBL4595202

CC(C)c1ccc(C(C)(C)OOC(=O)c2cccc(C(=O)c3cccc(C(=O)OOC(C)(C)c4ccc(C(C)C)cc4)c3C(=O)OOC(C)(C)c3ccc(C(C)C)cc3)c2C(=O)OOC(C)(C)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KIF11 P52732 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
PTPN5 P54829 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
ESRRA P11474 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL10437438 0.85 MAPK1 (0.46) CYP2D6CYP2C9HIF1AALDH1A1TSHR
SCHEMBL4663347 0.81 ALDH1A1 (0.42) CYP2D6CYP2C9HIF1AHPGDXBP1
SCHEMBL2872626 0.77 TSHR (0.51) CYP2C9ALDH1A1TSHRHSD17B10TDP1
SCHEMBL80421 0.77 CYP2C9 (0.37) CYP2D6CYP2C9HIF1AALDH1A1TDP1
SCHEMBL23922673 0.72 ELANE (0.37) CYP2D6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL23922685 0.71 TSHR (0.35) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL11210123 0.70 MAPK1 (0.52) CYP2D6CYP2C9HIF1AHPGDALDH1A1
SCHEMBL10414422 0.69 ALDH1A1 (0.53) CYP2C9HPGDALDH1A1KDM4ETSHR
SCHEMBL29791319 0.69 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRHSD17B10TDP1
SCHEMBL28066976 0.69 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1872942-A2 Lithographic printing plate precursor and lithographic printing method FUJIFILM Corporation (JP) 2008-01-02 EP disclosed
EP-1584485-B1 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORP (JP) 2007-12-05 EP disclosed
WO-2006095885-A1 ANTIREFLECTIVE FILM, METHOD OF MANUFUCTURING ANTIREFLECTIVE FILM, POLARIZING PLATE AND IMAGE DISPLAY DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2006-09-14 WO disclosed
EP-1584485-A2 Lithographic printing plate precursor and lithographic printing method FUJI PHOTO FILM CO., LTD. (JP) 2005-10-12 EP disclosed