SCHEMBL6159769

SCHEMBL6159769

CCCCCC(C)(C)OOC(=O)c1cc(C(=O)c2ccccc2)c(C(=O)OOC(C)(C)CCCCC)c(C(=O)OOC(C)(C)CCCCC)c1C(=O)OOC(C)(C)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 2/20 0.36
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 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
SCHEMBL2551419 0.92 TDP1 (0.41) TSHRALDH1A1HSD17B10TDP1PPARA
SCHEMBL7905010 0.87 TSHR (0.44) TSHRALDH1A1HSD17B10TDP1CNR2
SCHEMBL2528251 0.87 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10TDP1PPARA
SCHEMBL10414393 0.84 AKR1C3 (0.39) TSHRALDH1A1HSD17B10TDP1PPARA
SCHEMBL6159772 0.83 ALDH1A1 (0.42) TSHRALDH1A1HSD17B10TDP1PPARA
SCHEMBL1158013 0.81 ALDH1A1 (0.59) TSHRALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL10632745 0.81 ALDH1A1 (0.45) TSHRALDH1A1HSD17B10TDP1PPARA
SCHEMBL268229 0.81 ALDH1A1 (0.44) TSHRALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL27740169 0.80 TDP1 (0.57) TSHRALDH1A1HSD17B10TDP1CES2
SCHEMBL7907952 0.78 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10TDP1TP53

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