SCHEMBL6605943

SCHEMBL6605943

Cc1ccc(S(=O)(=O)OCCCCCOc2nc3ccccc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
XDH P47989 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 5/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8983462 0.77 PTPN2 (0.56) PTPN2PTPN1PTPN5SMN1; SMN2ALDH1A1
SCHEMBL11050599 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL4815560 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL3545668 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL8484861 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL8483813 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL4951882 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL4812770 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL4954181 0.76 ALDH1A1 (0.48) CA12CA1CA9GAASMN1; SMN2
SCHEMBL6607741 0.76 MEN1 (0.47) CA12CA1CA9KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787561-B1 HYPERLIPIDEMIA, ARTERIOSCLEROSIS; ORAL ADMINISTRATION; SUPPRESSING THE FORMING OF MACROPHAGES FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
EP-1197493-B1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO LTD (JP) 2004-03-24 EP disclosed
EP-1197493-A1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2002-04-17 EP disclosed