SCHEMBL2758488

SCHEMBL2758488

CCC(C)c1ccc(OC(C)OCCOC(C)c2ccc3ccccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
UGT2B7 P16662 1/20 0.39
CASR P41180 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
AOC3 Q16853 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 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
SCHEMBL2758492 0.92 SLC7A5 (0.37) SLC7A5UGT2B7CASRSLC6A2SLC6A4
SCHEMBL2758490 0.90 CYP2D6 (0.38) SLC7A5CASRSLC6A2SLC6A4SLC6A3
SCHEMBL3322395 0.87 CYP1A2 (0.44) UGT2B7CASRSLC6A2SLC6A4SLC6A3
SCHEMBL2758478 0.87 TDP1 (0.48) SLC7A5ALDH1A1TSHRMEN1KMT2A
SCHEMBL11998991 0.85 SLC7A5 (0.47) SLC7A5UGT2B7AOC3CYP2D6ALDH1A1
SCHEMBL2758482 0.84 SLC7A5 (0.39) SLC7A5CASRCYP1A2
SCHEMBL2758486 0.84 SLC7A5 (0.39) SLC7A5ALDH1A1TSHRMEN1KMT2A
SCHEMBL14258895 0.83 ALDH1A1 (0.47) SLC7A5ALDH1A1TSHRMEN1KMT2A
SCHEMBL2758493 0.82 SLC7A5 (0.37) SLC7A5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2758479 0.81 SLC7A5 (0.39) SLC7A5CASRSLC6A2SLC6A4ALDH1A1

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-20120003585-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed