SCHEMBL17931685

SCHEMBL17931685

CCOC(Oc1ccc(C(C)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)c2ccc(OC(OCC)C(C)(C)C)cc2)cc1)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL16247784 0.84 ALDH1A1 (0.43) SLC7A5ALDH1A1GAAMAPTTSHR
SCHEMBL16200765 0.83 ALDH1A1 (0.34) SLC7A5ALDH1A1GAAMAPTTSHR
SCHEMBL17931687 0.80 ALDH1A1 (0.37) SLC7A5ALDH1A1GAAMAPTTSHR
SCHEMBL20100816 0.77 ALDH1A1 (0.49) ALDH1A1GAAMAPTTSHR
SCHEMBL16865913 0.75 ALDH1A1 (0.34) ALDH1A1GAAMAPTTSHR
SCHEMBL13098434 0.75 ESR1 (0.42) SLC7A5ALDH1A1GAAMAPTTSHR
SCHEMBL825589 0.75 ESR1 (0.42) SLC7A5ALDH1A1GAAMAPTTSHR
SCHEMBL16139525 0.74 ALDH1A1 (0.44) SLC7A5ALDH1A1GAAMAPTTSHR
SCHEMBL16683112 0.73 ALDH1A1 (0.41) SLC7A5ALDH1A1GAAMAPTTSHR
SCHEMBL16247810 0.73 ABCB11 (0.42) ALDH1A1GAATSHR

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-20160209747-A1 ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE COMPOSITION, AND RESIST FILM, PATTERN FORMING METHOD, RESIST-COATED MASK BLANK, METHOD FOR PRODUCING PHOTOMASK, PHOTOMASK, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE, EACH OF WHICH USES SAID ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2016-07-21 US disclosed