SCHEMBL12974584

SCHEMBL12974584

CCC(C)c1ccc(OC(C)OCCCc2cccc(C3CCCCC3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PPARG P37231 3/20 0.34
SLC7A5 Q01650 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NAAA Q02083 1/20 0.32
KMT2A Q03164 2/20 0.32
CETP P11597 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADCY1 Q08828 1/20 0.30

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
SCHEMBL12054779 0.88 ALDH1A1 (0.36) ALDH1A1SLC7A5KMT2A
SCHEMBL683579 0.84 PPARG (0.40) HTR1ADRD2DRD3ALDH1A1PPARG
SCHEMBL14443403 0.81 ALDH1A1 (0.38) ALDH1A1SLC7A5KMT2A
SCHEMBL17931689 0.81 HRH3 (0.45) ALDH1A1KMT2AMEN1TDP1
SCHEMBL14208740 0.79 SLC7A5 (0.48) ALDH1A1PPARGSLC7A5PPARAKMT2A
SCHEMBL17451816 0.78 ALDH1A1 (0.36) ALDH1A1SLC7A5KMT2A
SCHEMBL14258798 0.78 SLC7A5 (0.40) ALDH1A1SLC7A5KMT2AMEN1TDP1
SCHEMBL111764 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TDP1
SCHEMBL12056820 0.76 HRH3 (0.38) ALDH1A1SLC7A5NAAAKMT2A
SCHEMBL683620 0.76 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TDP1

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
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