SCHEMBL7463350

SCHEMBL7463350

CSc1nc(-c2ccc(Cl)cc2)c(C(C)C(=O)O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
ADRA1A P35348 1/20 0.44
TYMP P19971 1/20 0.39
ACHE P22303 2/20 0.36
LIPE Q05469 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RXRA P19793 3/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
GAA P10253 2/20 0.36
KLK7 P49862 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KLK14 Q9P0G3 1/20 0.36
KLK5 Q9Y337 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
CYP2C9 P11712 2/20 0.35
CDH1 P12830 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
SCHEMBL7457919 0.88 MAOA (0.44) MAOAADRA1ATYMPRAB9ANPC1
SCHEMBL7459166 0.85 MAOA (0.41) MAOAADRA1ATYMPRAB9ANPC1
SCHEMBL7459960 0.83 MAOA (0.48) MAOAADRA1ATYMPRAB9ANPC1
SCHEMBL7462406 0.83 MAOA (0.40) MAOAADRA1ATYMPRAB9ANPC1
SCHEMBL10833843 0.82 MAOA (0.47) MAOAADRA1ATYMPRAB9ANPC1
SCHEMBL7453978 0.81 L3MBTL1 (0.41) MAOAADRA1ARAB9ANPC1PTGDR2
SCHEMBL10834263 0.79 MAOA (0.44) MAOAADRA1APTGDR2RXRARXRB
SCHEMBL7457830 0.79 MAOA (0.44) MAOAADRA1ATYMPRAB9ANPC1
SCHEMBL7456936 0.79 MAOA (0.44) MAOAADRA1ATYMPRAB9ANPC1
SCHEMBL7461922 0.79 MAOA (0.44) MAOAADRA1ATYMPRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed