SCHEMBL14258917

SCHEMBL14258917

CCC(C)c1ccc(OC(C)OCCOc2cccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
SLC7A5 Q01650 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNH2 Q12809 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
SCHEMBL14258895 0.82 ALDH1A1 (0.47) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL111973 0.80 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL110492 0.78 KMT2A (0.51) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL682235 0.78 ALDH1A1 (0.48) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL683291 0.77 LTA4H (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL13920795 0.77 ALDH1A1 (0.40) NFKB1ALDH1A1TSHRSLC7A5MEN1
SCHEMBL2758498 0.77 ALDH1A1 (0.46) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL10281549 0.77 ALDH1A1 (0.43) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL682951 0.76 ALDH1A1 (0.48) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL13406766 0.76 ALDH1A1 (0.45) RAB9AMAPTNPC1SMN1; 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-20080076062-A1 RESIST COMPOSITION AND PATTERN-FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed