SCHEMBL9115704

SCHEMBL9115704

C=C(C)C(=O)OC(C=Cc1ccccc1)=C(CC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
GLA P06280 1/20 0.45
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 3/20 0.40
HDAC3 O15379 2/20 0.40
MAPT P10636 2/20 0.40
MAOA P21397 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL10760753 0.78 GLA (0.55) TDP1GLANPC1MAOBALDH1A1
SCHEMBL4122409 0.78 GLA (0.55) TDP1GLANPC1MAOBALDH1A1
SCHEMBL10581527 0.76 GLA (0.56) TDP1GLANPC1L3MBTL1HAO1
SCHEMBL29935969 0.74 GLA (0.46) TDP1GLANPC1L3MBTL1HAO1
Cinnamic Acid SCHEMBL27813787 0.73 HDAC3 (0.56) TDP1GLANPC1L3MBTL1MAOB
Methacrylic Acid SCHEMBL390857 0.72 MEN1 (0.53) TDP1GLANPC1L3MBTL1HAO1
SCHEMBL2453203 0.72 TDP1 (0.50) TDP1GLANPC1L3MBTL1HAO1
SCHEMBL14735705 0.71 PAM (0.45) TDP1GLANPC1MAOBALDH1A1
Ethyl Cinnamate SCHEMBL9513152 0.71 CA12 (0.60) TDP1GLANPC1L3MBTL1MAOB
SCHEMBL28613779 0.71 MEN1 (0.51) TDP1GLANPC1L3MBTL1MAOB

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-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 WO disclosed