SCHEMBL8627972

SCHEMBL8627972

CSc1ccc(CC(C)(C=O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DNMT1 P26358 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL20722154 0.80 TDP1 (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4541590 0.80 TDP1 (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8796874 0.75 EPHX2 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL20269071 0.70 SLC6A4 (0.45) ALDH1A1MEN1KMT2ASLC6A4CYP3A4
SCHEMBL7189810 0.69 SLC6A4 (0.41) ALDH1A1MEN1KMT2ATSHRSLC6A4
SCHEMBL463659 0.69 GAA (0.70) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL5272382 0.68 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL16569820 0.67 TLR9 (0.48) ALDH1A1MEN1KMT2AMAPTBCHE
SCHEMBL6460135 0.67 HPGD (0.41) ALDH1A1MEN1KMT2AMAPTBCHE
SCHEMBL16089496 0.66 GAA (0.48) ALDH1A1MEN1KMT2AMAPTALOX12

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-0850253-A1 BETAKETOSULFONIC DERIVATIVES SUITABLE TO THE USE AS POLYMERIZATION PHOTOINITIATORS AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI S.p.A. (IT) 1998-07-01 EP disclosed
WO-1997010270-A1 BETAKETOSULFONIC DERIVATIVES SUITABLE TO THE USE AS POLYMERIZATION PHOTOINITIATORS AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI S.P.A. (IT) 1997-03-20 WO disclosed