SCHEMBL11587105

SCHEMBL11587105

CC(=O)C=Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ IAPP P10997 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ MAOB P27338 1/20 0.45
▸ APP P05067 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ FDPS P14324 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GPR183 P32249 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL11121090 0.85 MAOB (0.61) TDP1GLAIAPPPTGS1MAOB
SCHEMBL11121092 0.85 MAOB (0.61) TDP1GLAIAPPPTGS1MAOB
SCHEMBL13893105 0.84 F3 (0.57) TDP1MAOBLMNATSHRALDH1A1
SCHEMBL1359336 0.83 GLA (0.77) TDP1GLAIAPPPTGS1MAOB
SCHEMBL1359335 0.83 GLA (0.77) TDP1GLAIAPPPTGS1MAOB
SCHEMBL23088918 0.83 CA2 (0.56) TDP1GLAIAPPPTGS1ALDH1A1
SCHEMBL10458770 0.82 TDP1 (0.53) TDP1MAOBLMNAGAATSHR
SCHEMBL8751739 0.82 HCAR2 (0.59) TDP1GLAAPPLMNAGAA
SCHEMBL8751736 0.82 HCAR2 (0.59) TDP1GLAAPPLMNAGAA
SCHEMBL10458771 0.82 TDP1 (0.53) TDP1MAOBLMNAGAATSHR

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
US-4118289-A BRIGHTENER SYSTEM OF A NONIONIC SURFACTANT, AN ALIPHATIC ALDEHYDE, AN AMINE AND A HETEROCYCLIC ALDEHYDE OR AROMATIC KETONE OR CARBOXY ACID MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-10-03 — — US disclosed
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