SCHEMBL7460620

SCHEMBL7460620

CC(C(=O)O)c1oc(N2CCOCC2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PIK3CD O00329 2/20 0.45
PRKDC P78527 1/20 0.45
PIK3CA P42336 2/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
CNR1 P21554 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.40
SLC2A2 P11168 1/20 0.40
GRIA1 P42261 1/20 0.40

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
SCHEMBL7466867 0.91 MAOA (0.41) CNR1MAOAADRA1AMAPK1
SCHEMBL7456593 0.90 CNR1 (0.42) KDM4ECNR1ALDH1A1GAAMAOA
SCHEMBL7459960 0.78 MAOA (0.48) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL7458952 0.78 MTOR (0.38) RAB9AMTORCNR1ALDH1A1MAOA
SCHEMBL10833843 0.76 MAOA (0.47) KDM4ENPC1RAB9ACYP1A2CYP3A4
SCHEMBL7461994 0.76 ALDH1A1 (0.42) KDM4ECYP3A4ALDH1A1MAOAADRA1A
SCHEMBL7468394 0.76 MAOA (0.42) KDM4ERAB9ACNR1ALDH1A1GAA
SCHEMBL7464622 0.76 MAOA (0.39) CNR1CYP3A4MAOAADRA1AMEN1
SCHEMBL6606357 0.76 MAOA (0.39) NPC1RAB9AGRIA1MAOAADRA1A
SCHEMBL7463542 0.76 MAOA (0.39) KDM4ENPC1RAB9ACYP3A4ALDH1A1

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