SCHEMBL683286

SCHEMBL683286

CCCCCOc1ccccc1OCCOC(C)Oc1ccc(C(C)CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
LTA4H P09960 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CALM1 P0DP23 1/20 0.37
CYP2D6 P10635 1/20 0.37
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL682951 0.90 ALDH1A1 (0.48) SLC7A5ALDH1A1LTA4HTDP1MEN1
SCHEMBL683260 0.90 SLC7A5 (0.39) SLC7A5ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL14252111 0.88 ALDH1A1 (0.47) ALDH1A1LTA4HTDP1MEN1KMT2A
SCHEMBL682848 0.86 SLC7A5 (0.44) SLC7A5ALDH1A1CYP1A2CYP2C19LTA4H
SCHEMBL682190 0.86 TSHR (0.44) SLC7A5ALDH1A1LTA4HTDP1MEN1
SCHEMBL12054775 0.84 SLC7A5 (0.46) SLC7A5ALDH1A1TDP1MEN1KMT2A
SCHEMBL683372 0.83 SLC7A5 (0.40) SLC7A5ALDH1A1TDP1MEN1KMT2A
SCHEMBL683607 0.83 SLC7A5 (0.40) SLC7A5ALDH1A1TDP1MEN1KMT2A
SCHEMBL2758502 0.83 KDM4E (0.45) SLC7A5ALDH1A1MEN1KMT2ATSHR
SCHEMBL2758474 0.83 HTR1B (0.46) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090722-B2 Chemical amplification resist composition, and mold preparation method and resist film using the same FUJIFILM CORPORATION (JP) 2015-07-28 US disclosed
US-20120006788-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed
WO-2010150917-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM CORPORATION (JP) 2010-12-29 WO disclosed