SCHEMBL11998985

SCHEMBL11998985

CCC(C)c1ccc(OC(C)c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
SLC6A4 P31645 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AOC3 Q16853 1/20 0.37
SLC6A2 P23975 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14118472 0.89 SLC7A5 (0.42) SLC7A5PPARGPPARALTB4RLTB4R2
SCHEMBL11999022 0.86 SLC6A4 (0.39) PPARGPPARAALDH1A1SLC6A4CYP1A2
SCHEMBL2758479 0.86 SLC7A5 (0.39) SLC7A5PPARGPPARALTB4RLTB4R2
SCHEMBL16247801 0.85 SLC7A5 (0.38) SLC7A5PPARGPPARALTB4RLTB4R2
SCHEMBL15503595 0.85 SLC7A5 (0.41) SLC7A5PPARGPPARAALDH1A1TSHR
SCHEMBL15503586 0.84 SLC7A5 (0.41) SLC7A5PPARGPPARALTB4RLTB4R2
SCHEMBL18473529 0.83 SLC7A5 (0.41) SLC7A5PPARGPPARALTB4RLTB4R2
SCHEMBL11998999 0.82 ALDH1A1 (0.39) SLC7A5LTB4RLTB4R2ALDH1A1TSHR
SCHEMBL10627978 0.81 ALDH1A1 (0.47) PPARGPPARAALDH1A1SLC6A4CYP1A2
SCHEMBL11999013 0.80 SLC7A5 (0.44) SLC7A5PPARGPPARALTB4RLTB4R2

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
US-20120214091-A1 RESIST FILM, RESIST COATED MASK BLANKS AND METHOD OF FORMING RESIST PATTERN USING THE RESIST FILM, AND CHEMICAL AMPLIFICATION TYPE RESIST COMPOSITION FUJIFILM CORPORATION (JP) 2012-08-23 US disclosed