SCHEMBL2758486

SCHEMBL2758486

CCC(C)c1ccc(OC(C)OCCOC(C)c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL11999013 0.86 SLC7A5 (0.44) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL2758493 0.86 SLC7A5 (0.37) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL2758492 0.86 SLC7A5 (0.37) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL11922878 0.86 SLC7A5 (0.39) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL3325903 0.85 CYP1A2 (0.36) MAPTPPARGPPARATP53SMN1; SMN2
SCHEMBL2758490 0.85 CYP2D6 (0.38) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL2758488 0.84 SLC7A5 (0.41) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL683642 0.84 SLC7A5 (0.37) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL2758479 0.83 SLC7A5 (0.39) SLC7A5ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL10182886 0.81 SLC7A5 (0.41) SLC7A5ALDH1A1TSHRLTB4RLTB4R2

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