SCHEMBL3263717

SCHEMBL3263717

C=CCSC1=C(SCC=C)C2=NC3=NC(=NC4=NC(=NC5=NC(=NC1=N2)C(SCC=C)=C5SCC=C)C(SCC=C)=C4SCC=C)C(SCC=C)=C3SCC=C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
TRPA1 O75762 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 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
SCHEMBL7248147 0.67 ALDH1A1 (0.47) ALDH1A1HPGDTRPA1CYP3A4ALOX15
SCHEMBL13085024 0.67 NPSR1 (0.46) ALDH1A1HPGDTRPA1CYP3A4ALOX15
SCHEMBL9723466 0.64 HPGD (0.42) ALDH1A1HPGDCYP3A4ALOX15SMN1; SMN2
SCHEMBL11876845 0.64 HPGD (0.42) ALDH1A1HPGDCYP3A4SMN1; SMN2L3MBTL1
SCHEMBL11183752 0.62 TDP1 (0.34) ALDH1A1HPGDTRPA1CYP3A4ALOX15
SCHEMBL2358144 0.62 MAPT (0.46) ALDH1A1HPGDCYP3A4SMN1; SMN2KMT2A
SCHEMBL25435056 0.61
SCHEMBL8755108 0.61 L3MBTL1 (0.41) ALDH1A1HPGDTRPA1CYP3A4ALOX15
SCHEMBL8770615 0.61 ALDH1A1 (0.40) ALDH1A1HPGDTRPA1CYP3A4ALOX15
SCHEMBL8521655 0.61 ALDH1A1 (0.40) ALDH1A1HPGDTRPA1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7794622-B2 Preparation method of a liquid crystal film having uniaxial alignment and liquid crystal device KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-09-14 US disclosed
US-20080129948-A1 Preparation method of a liquid crystal film having uniaxial alignment and liquid crystal device KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-06-05 US disclosed