SCHEMBL1607282

SCHEMBL1607282

C[S+]([O-])CCCCCCCCCCN=C=S

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.54
TRPA1 O75762 8/20 0.48
MIF P14174 4/20 0.48
GSK3B P49841 1/20 0.46
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
BACH1 O14867 1/20 0.42
MAFK O60675 1/20 0.42
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL5070755 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1607124 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1607149 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL14933784 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL14933787 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL25332541 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1606718 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL106183 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL2485837 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
Sulforaphane SCHEMBL20855320 0.98 NAAA (0.50) NAAATRPA1MIFGSK3BKEAP1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384157-B Preparation method and application of camelning B and derivative thereof 烟台大学 2024-03-15 CN claimed
CN-117384156-B Preparation method and application of camelning alkali A and derivative thereof 烟台大学 2024-03-15 CN claimed
CN-117384156-A Preparation method and application of camelning alkali A and derivative thereof 烟台大学 2024-01-12 CN claimed
CN-117384157-A Preparation method and application of camelning B and derivative thereof 烟台大学 2024-01-12 CN claimed
CN-113563337-B Preparation method of camelning alkali A 武汉理工大学 2023-07-04 CN claimed
CN-113973831-B Application of camelnine A derivative in treatment of plant virus germ disease 南开大学 2023-04-28 CN claimed
CN-113999231-A Alhaginine A derivative, preparation thereof and application thereof in preventing and treating plant virus and bacterial diseases 南开大学 2022-02-01 CN claimed
CN-113973831-A Application of camelinine A derivative in treating plant virus and germ diseases 南开大学 2022-01-28 CN claimed
EP-1313377-B1 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2015-01-21 EP claimed
US-20060258599-A1 Methods and composition for the treatment of cystic fibrosis and related illnesses CHILDERS MELANIE 2006-11-16 US claimed
WO-2006065736-A2 METHOD OF EXTRACTION OF ISOTHIOCYANATES INTO OIL FROM GLUCOSINOLSATE-CONTAINING PLANTS JOHNS HOPKINS UNIVERSITY (US) 2006-06-22 WO claimed
US-20060127996-A1 Method of extraction of isothiocyanates into oil from glucosinolate-containing plants and method of producing products with oil containing isothiocyanates extracted from glucosinolate-containing plants JOHNS HOPKINS UNIVERSITY 2006-06-15 US claimed
US-20040180843-A1 Treatment of helicobacter with isothocyanates BRASSICA FOUNDATION FOR CHEMOPROTECTION RESEARCH, INC. 2004-09-16 US claimed
US-6737441-B2 PREVENTING OR TREATING PERSISTENT CHRONIC GASTRITIS, ULCERS AND/OR STOMACH CANCER Fahey, Jed W. 2004-05-18 US claimed
EP-1313377-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES Fahey, Jed W. (US) 2003-05-28 EP claimed
US-20020151505-A1 Treatment of helicobacter with isothiocyanates FAHEY, JED W. 2002-10-17 US claimed
WO-2002015722-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2002-02-28 WO claimed
US-20250066293-A1 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2025-02-27 US disclosed
US-20020151505-A1 Treatment of helicobacter with isothiocyanates FAHEY, JED W. 2002-10-17 US disclosed
WO-2002015722-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2002-02-28 WO disclosed