SCHEMBL20100816

SCHEMBL20100816

CCC(CC(CC(CC(CC(CC(CC(C)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
FFAR1 O14842 1/20 0.44
MIF P14174 1/20 0.42
CYP17A1 P05093 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19820875 0.92 L3MBTL1 (0.48) ALDH1A1GAAMAPTFFAR1CYP17A1
SCHEMBL12678053 0.88 FAAH (0.49) ALDH1A1GAAMAPTFFAR1TSHR
SCHEMBL17931687 0.86 ALDH1A1 (0.37) ALDH1A1GAAMAPTFFAR1CYP1A2
SCHEMBL19820886 0.86 CYP17A1 (0.55) ALDH1A1GAAMAPTFFAR1CYP17A1
SCHEMBL12678054 0.84 FFAR1 (0.42) ALDH1A1GAAMAPTFFAR1MIF
SCHEMBL4705880 0.82 FFAR1 (0.53) ALDH1A1GAAMAPTFFAR1MIF
SCHEMBL4454111 0.82 CA1 (0.52) ALDH1A1GAAMAPTL3MBTL1ABCB11
SCHEMBL22291711 0.82 CA1 (0.52) ALDH1A1GAAMAPTL3MBTL1ABCB11
SCHEMBL16865913 0.81 ALDH1A1 (0.34) ALDH1A1GAAMAPTFFAR1TSHR
SCHEMBL17278727 0.81 TSHR (0.43) ALDH1A1GAAMAPTFFAR1ABCB11

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-20180120705-A1 PATTERN FORMING METHOD AND ELECTRONIC DEVICE MANUFACTURING METHOD FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed