SCHEMBL683310

SCHEMBL683310

CCC(C)c1ccc(OC(C)OCCOc2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.46
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
PTGS1 P23219 3/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 3/20 0.39
TSHR P16473 2/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC22A6 Q4U2R8 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
SCHEMBL2758476 0.97 ABCB11 (0.44) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL2758470 0.91 NPSR1 (0.49) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL2758478 0.90 TDP1 (0.48) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL10148540 0.90 ALDH1A1 (0.43) ABCB11ALDH1A1GAAMAPTHPGD
SCHEMBL682235 0.89 ALDH1A1 (0.48) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL11999038 0.88 ABCB11 (0.47) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL2758468 0.86 HIF1A (0.46) ALDH1A1GAAMAPTTDP1MEN1
SCHEMBL2758484 0.84 CYP2D6 (0.39) ALDH1A1GAAMAPTTDP1MEN1
SCHEMBL2758481 0.84 CYP2D6 (0.46) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL14258895 0.83 ALDH1A1 (0.47) ALDH1A1GAAMAPTHPGDSMN1; SMN2

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
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