SCHEMBL8074253

SCHEMBL8074253

CC(C)CC(NC(=O)CNc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
NTSR1 P30989 2/20 0.52
MME P08473 3/20 0.51
TP53 P04637 1/20 0.51
FPR2 P25090 2/20 0.49
LTA4H P09960 1/20 0.49
ACE P12821 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL8074262 1.00 MAPK1 (0.54) MAPK1NTSR1MMETP53FPR2
SCHEMBL4456109 0.84 ERCC1 (0.50) MMEALDH1A1
SCHEMBL4456099 0.84 ERCC1 (0.50) MMEALDH1A1
SCHEMBL13358894 0.81 FNTA (0.51) MMEACEALDH1A1
SCHEMBL13358896 0.81 FNTA (0.51) MMEACEALDH1A1
SCHEMBL6623667 0.81 PKM (0.49) MMELTA4HALDH1A1
SCHEMBL24137901 0.80 LMNA (0.51) ALDH1A1
SCHEMBL7365767 0.80 MME (0.55) MMEFPR2ACE
SCHEMBL6670986 0.79 GPR139 (0.63)
SCHEMBL6670978 0.79 GPR139 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038533-A1 MEDICINAL COMPOSITIONS FOR TREATING IMMUNODEFICIENCY DISEASES Nippon Kayaku Kabushiki Kaisha (JP) 2000-09-27 EP disclosed
CN-1264308-A Pharmaceutical composition for treating immunodeficiency diseases NIPPON KAYAKU KK (JP) 2000-08-23 CN disclosed
EP-0347820-B1 NOVEL SPERGUALIN-RELATED COMPOUNDS AND PREPARATION AND APPLICATION OF THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1993-04-21 EP disclosed
CN-1016341-B NOVEL SPERGUALIN-RELATED COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MICROBIAL CHEMICAL RESEARCHING (JP) 1992-04-22 CN disclosed
US-5061787-A IMMUNOSUPPRESSANTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-29 US disclosed
EP-0241797-B1 NOVEL SPERGUALIN-RELATED COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1991-06-12 EP disclosed
US-4956504-A IMMUNOMODULATORS, ANTIBIOTICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1990-09-11 US disclosed
EP-0309971-A2 New spergualin-related compound and pharmaceutical composition ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-04-05 EP disclosed
CN-87102538-A New compound relevant and preparation method thereof with spergualin 1987-11-18 CN disclosed
EP-0241797-A2 Novel spergualin-related compounds and process for producing the same MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-10-21 EP disclosed