SCHEMBL1979330

SCHEMBL1979330

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2cccc(C)c2OC(=O)c2ccc(OCCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
THRB P10828 1/20 0.45
HTT P42858 3/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL24379077 0.90 L3MBTL1 (0.54) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL27862391 0.89 TDP1 (0.53) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL4326364 0.88 THRB (0.48) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL3225142 0.88 TDP1 (0.54) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL5319700 0.86 THRB (0.49) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL22555934 0.86 THRB (0.49) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL29419498 0.86 THRB (0.49) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL7268202 0.85 HTT (0.47) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL15523698 0.85 HTT (0.47) L3MBTL1TDP1THRBHTTKMT2A
SCHEMBL7574204 0.85 THRB (0.50) L3MBTL1TDP1THRBHTTKMT2A

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
EP-2509795-A1 CHIRAL LIQUID CRYSTAL POLYMER MARKING SICPA Holding SA (CH) 2012-10-17 EP disclosed
WO-2011069689-A1 CHIRAL LIQUID CRYSTAL POLYMER MARKING SICPA HOLDING SA (CH) 2011-06-16 WO disclosed