SCHEMBL7305249

SCHEMBL7305249

CCC(OS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
VDR P11473 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA5 P22460 2/20 0.41
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11280289 0.92 GAA (0.41) ALDH1A1VDRHTTCA12CA9
SCHEMBL9153280 0.90 CCR5 (0.44) SMN1; SMN2KCNA5LMNA
SCHEMBL9434999 0.88 CA12 (0.43) ALDH1A1VDRHTTSMN1; SMN2CYP2D6
SCHEMBL6982213 0.86 GSR (0.46) ALDH1A1VDRHTTSMN1; SMN2CYP2D6
SCHEMBL17164172 0.86 GSR (0.46) ALDH1A1VDRHTTSMN1; SMN2CYP2D6
SCHEMBL17844737 0.85 CNR2 (0.43) ALDH1A1VDRHTTSMN1; SMN2CA12
SCHEMBL7259363 0.85 CA2 (0.46) ALDH1A1VDRHTTSMN1; SMN2CA12
SCHEMBL6469914 0.84 CYP2D6 (0.40) ALDH1A1VDRHTTSMN1; SMN2CYP2D6
SCHEMBL12410180 0.82 CA12 (0.47) ALDH1A1VDRHTTSMN1; SMN2CA12
SCHEMBL29028609 0.81 PSEN1 (0.40) BCHEACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640677-B1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 1998-10-28 EP disclosed
US-5462694-A Improved high speed response CANON KABUSHIKI KAISHA (JP) 1995-10-31 US disclosed
EP-0640677-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-01 EP disclosed
WO-1994014779-A1 PYRIMIDINYL-PIPERAZINE DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed
EP-0414421-A2 1-Oxa-2-oxo-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-27 EP disclosed
US-4523208-A SULFONIC ACID ESTER AS ACTIVATOR BASF AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed