SCHEMBL2758490

SCHEMBL2758490

CCC(C)c1ccc(OC(C)OCCOC(C)c2ccc3ccc4ccccc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
SLC7A5 Q01650 1/20 0.38
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP3A4 P08684 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CASR P41180 1/20 0.31

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 0.94 SLC7A5 (0.37) CYP2D6CYP1A2SLC7A5TP53SMN1; SMN2
SCHEMBL2758488 0.90 SLC7A5 (0.41) CYP2D6CYP1A2SLC7A5ALDH1A1TSHR
SCHEMBL2758493 0.85 SLC7A5 (0.37) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL2758479 0.85 SLC7A5 (0.39) CYP1A2SLC7A5TP53SMN1; SMN2ALDH1A1
SCHEMBL2758486 0.85 SLC7A5 (0.39) SLC7A5TP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL2758478 0.81 TDP1 (0.48) SLC7A5SMN1; SMN2ALDH1A1TSHRPPARG
SCHEMBL2758494 0.81 SLC7A5 (0.37) SLC7A5TP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL11922878 0.80 SLC7A5 (0.39) SLC7A5TP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL2758474 0.80 HTR1B (0.46) SLC6A4KMT2A
SCHEMBL2758475 0.80 SLC7A5 (0.37) CYP1A2SLC7A5TP53SMN1; SMN2ALDH1A1

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