SCHEMBL8074247

SCHEMBL8074247

CC(C)CC(N)C(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 3/20 0.44
AGTR1 P30556 3/20 0.42
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
HPGD P15428 1/20 0.40
ELANE P08246 1/20 0.40
SLC7A5 Q01650 1/20 0.39
LTA4H P09960 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MMP8 P22894 1/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
GLA P06280 1/20 0.35
ITGB3 P05106 1/20 0.35

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
SCHEMBL6761546 0.87 KDM4E (0.45) AGTR1KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL6303080 0.86 AGTR1 (0.44) AGTR1KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL9716704 0.82 KDM4E (0.49) AGTR1KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL8166016 0.81 MME (0.41) AGTR1KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL11819594 0.80 KDM4E (0.46) AGTR1KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL11800788 0.80 KDM4E (0.46) AGTR1KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL5967407 0.77 KDM4E (0.50) AGTR1KDM4ERAB9AALDH1A1HSD17B10
Leucine SCHEMBL11019375 0.75 SLC7A5 (0.55) LARS1ALDH1A1HSD17B10ANPEPRNPEP
Leucine SCHEMBL11019376 0.75 SLC7A5 (0.55) LARS1ALDH1A1HSD17B10ANPEPRNPEP
Methylamine SCHEMBL5383831 0.74 AGTR1 (0.50) AGTR1KDM4ERAB9AALDH1A1HSD17B10

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 7 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
EP-0347820-B1 NOVEL SPERGUALIN-RELATED COMPOUNDS AND PREPARATION AND APPLICATION OF THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1993-04-21 EP 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-0347820-A1 Novel spergualin-related compounds and preparation and application of the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-12-27 EP disclosed
EP-0241797-A2 Novel spergualin-related compounds and process for producing the same MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-10-21 EP disclosed