SCHEMBL8499352

SCHEMBL8499352

CCc1ccccc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.59
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
GAA P10253 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
VDR P11473 2/20 0.47
HTT P42858 1/20 0.46
HTR6 P50406 1/20 0.46
CYP3A4 P08684 3/20 0.45
HSD11B1 P28845 1/20 0.44
HSD17B3 P37058 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3841651 0.90 LMNA (0.55) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL1822181 0.88 DHODH (0.59) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL3142288 0.87 LMNA (0.52) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL6148121 0.87 MEN1 (0.58) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL13724032 0.85 DHODH (0.58) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL28026683 0.85 DHODH (0.52) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL10180459 0.85 LMNA (0.48) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL28027224 0.84 LMNA (0.50) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL6934698 0.84 LMNA (0.53) DHODHLMNAMAPK1MEN1KMT2A
SCHEMBL11110671 0.83 LMNA (0.52) DHODHLMNAMAPK1MEN1KMT2A

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-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 EP disclosed
EP-0086678-B1 PROCESS FOR THE PREPARATION OF 2-ACYL-1,3,4,6,7,11B-2H-HEXAHYDRO-4-PYRAZINO(2,1-A)ISOQUINOLINONES AND INTERMEDIATES ELF SANOFI (FR) 1985-07-03 EP disclosed
EP-0086678-A1 Process for the preparation of 2-acyl-1,3,4,6,7,11b-2H-hexahydro-4-pyrazino(2,1-a)isoquinolinones and intermediates ELF SANOFI (FR) 1983-08-24 EP disclosed