SCHEMBL435532

SCHEMBL435532

C=C(C)C(=O)OCCOC(=O)CCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.72
APP P05067 1/20 0.54
ALOX5 P09917 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
KEAP1 Q14145 1/20 0.46
FFAR1 O14842 2/20 0.45
THRB P10828 1/20 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
SCHEMBL435826 0.91 TDP1 (0.58) TDP1APPALOX5ALDH1A1KMT2A
SCHEMBL11887997 0.88 TDP1 (0.54) TDP1APPALOX5ALDH1A1KMT2A
SCHEMBL42893 0.87 HCAR2 (0.51) TDP1APPALOX5ALDH1A1POLB
SCHEMBL20865596 0.86 TDP1 (0.51) TDP1APPALOX5ALDH1A1KMT2A
SCHEMBL9398164 0.86 TDP1 (0.74) TDP1APPALOX5ALDH1A1TRPV1
SCHEMBL434673 0.86 ALDH1A1 (0.54) TDP1ALOX5ALDH1A1KMT2AMAPT
Methane SCHEMBL4468486 0.85 HCAR2 (0.50) TDP1APPALOX5ALDH1A1POLB
SCHEMBL28182817 0.85 TDP1 (1.00) TDP1APPALOX5ALDH1A1TRPV1
SCHEMBL2602489 0.85 TDP1 (0.51) TDP1APPALOX5TRPV1FFAR1
Methacrylic Acid SCHEMBL8131805 0.84 HCAR2 (0.49) TDP1APPALOX5ALDH1A1POLB

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-2012010918-A2 OPTICAL DEVICES MEDICONTUR ORVOSTECHNIKAI KFT. (HU) 2012-01-26 WO disclosed