SCHEMBL5481438

SCHEMBL5481438

CCCCCCCCOc1ccccc1-c1ccccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PDE5A O76074 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45

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
SCHEMBL8453581 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL1509367 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL1509387 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL8155524 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL1509382 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL307516 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL3432906 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL7830929 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL11369150 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL1509385 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDHTTMEN1

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-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US claimed
US-8535515-B2 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2013-09-17 US disclosed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US disclosed