SCHEMBL6138115

SCHEMBL6138115

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCOc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.74
LTB4R2 Q9NPC1 1/20 0.70
POLB P06746 1/20 0.54
CASP6 P55212 1/20 0.54
MCHR1 Q99705 4/20 0.51
MAPT P10636 2/20 0.50
PLA2G4B P0C869 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TTR P02766 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
TSHR P16473 1/20 0.48
REN P00797 3/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL8994928 0.87 LTB4R (0.84) LTB4RLTB4R2MAPTPLA2G4BLMNA
SCHEMBL8203909 0.86 LTB4R (0.69) LTB4RLTB4R2MCHR1TSHRBCL2L1
SCHEMBL8994956 0.86 LTB4R (0.72) LTB4RLTB4R2TSHRRENHTR1A
SCHEMBL8748088 0.86 LTB4R (0.72) LTB4RLTB4R2MAPTPLA2G4BPPARD
SCHEMBL8747939 0.85 LTB4R (0.74) LTB4RLTB4R2MAPTPLA2G4BPPARD
Moxilubant SCHEMBL29388138 0.85 LTB4R (1.00) LTB4RLTB4R2PLA2G4BHTR2AADRA1A
Moxilubant SCHEMBL6439215 0.85 LTB4R (1.00) LTB4RLTB4R2PLA2G4BHTR2AADRA1A
SCHEMBL8748091 0.85 LTB4R (0.74) LTB4RLTB4R2MAPTPLA2G4BPPARD
SCHEMBL8074983 0.85 LTB4R (0.67) LTB4RLTB4R2MCHR1TSHRBCL2L1
SCHEMBL9121783 0.85 LTB4R (0.70) LTB4RLTB4R2MCHR1MAPTPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451163-A4 3-AMIDO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARM IND CO LTD (KR) 2005-01-26 EP disclosed
EP-1451163-A1 3-AMIDO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2004-09-01 EP disclosed
WO-2003040113-A1 3-AMIDO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARM. IND. CO., LTD. (KR) 2003-05-15 WO disclosed