SCHEMBL6159772

SCHEMBL6159772

CC(C)(C)CC(C)(C)OOC(=O)c1cc(C(=O)c2ccccc2)c(C(=O)OOC(C)(C)CC(C)(C)C)c(C(=O)OOC(C)(C)CC(C)(C)C)c1C(=O)OOC(C)(C)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ELANE P08246 3/20 0.37
POLB P06746 1/20 0.37
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL2528251 0.89 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL2551419 0.86 TDP1 (0.41) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL7905008 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL1158013 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL6159769 0.83 TSHR (0.39) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL268229 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL4823691 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL6353849 0.81 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRTDP1ELANE
SCHEMBL3677745 0.79 TDP1 (0.66) ALDH1A1HSD17B10TSHRTDP1POLB
SCHEMBL10414393 0.79 AKR1C3 (0.39) ALDH1A1HSD17B10TSHRTDP1ELANE

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-1502735-A2 Lithographic printing plate precursor and polymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 2005-02-02 EP disclosed
EP-1391784-A2 Polymerizable composition and negative-working planographic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. (JP) 2004-02-25 EP disclosed