SCHEMBL4595204

SCHEMBL4595204

CC(C)c1ccc(C(C)(C)OOC(=O)c2cc(C(=O)c3ccccc3)c(C(=O)OOC(C)(C)c3ccc(C(C)C)cc3)c(C(=O)OOC(C)(C)c3ccc(C(C)C)cc3)c2C(=O)OOC(C)(C)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
BCL2 P10415 2/20 0.36
MCL1 Q07820 2/20 0.36
HIF1A Q16665 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ELANE P08246 2/20 0.34
PPARG P37231 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
MAPT P10636 4/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
LMNA P02545 2/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL268229 0.90 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1TSHRCYP2D6
SCHEMBL4663347 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHRBCL2
SCHEMBL4823691 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1TSHRBCL2
SCHEMBL1158013 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10TDP1TSHRCYP2D6
SCHEMBL4595202 0.79 CYP2D6 (0.37) ALDH1A1HSD17B10TDP1TSHRHIF1A
SCHEMBL2528251 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1TSHRCYP2D6
SCHEMBL80421 0.76 CYP2C9 (0.37) ALDH1A1TDP1HIF1ACYP2D6CYP2C9
SCHEMBL6353849 0.76 ALDH1A1 (0.49) ALDH1A1HSD17B10TDP1TSHRCYP2D6
SCHEMBL6159772 0.75 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHRCYP2D6
SCHEMBL6847666 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1TSHRCYP2C9

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 5 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
EP-1698218-A1 METAL PATTERN FORMING METHOD, METAL PATTERN OBTAINED BY THE SAME, PRINTED WIRING BOARD, CONDUCTIVE FILM FORMING METHOD, AND CONDUCTIVE FILM OBTAINED BY THE SAME FUJI PHOTO FILM CO., LTD. (JP) 2006-09-06 EP disclosed
EP-1584485-A2 Lithographic printing plate precursor and lithographic printing method FUJI PHOTO FILM CO., LTD. (JP) 2005-10-12 EP disclosed
WO-2005053368-A1 METAL PATTERN FORMING METHOD, METAL PATTERN OBTAINED BY THE SAME, PRINTED WIRING BOARD, CONDUCTIVE FILM FORMING METHOD, AND CONDUCTIVE FILM OBTAINED BY THE SAME FUJI PHOTO FILM CO., LTD. (JP) 2005-06-09 WO disclosed