SCHEMBL6260397

SCHEMBL6260397

CC(O)C(N)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ADRB2 P07550 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
MAP4K4 O95819 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6262545 0.82 TAS1R3 (0.47) MEN1KMT2AMAOAMAOBCYP3A4
SCHEMBL4071188 0.80 ALDH1A1 (0.50) NPSR1PPARGPPARAMEN1KMT2A
SCHEMBL8809424 0.79 POLB (0.49) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL3826640 0.79 LMNA (0.45) POLBCYP1A2CYP2C9CYP2C19GAA
SCHEMBL1010865 0.79 POLB (0.52) POLBADRB2CYP1A2CYP2C9CYP2C19
SCHEMBL8333706 0.79 POLB (0.52) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL5266256 0.78 ALDH1A1 (0.45) POLBCYP1A2CYP2C9CYP2C19GAA
SCHEMBL8823940 0.77 TARS1 (0.48) PPARGPPARAMAOA
SCHEMBL4073841 0.77 SMN1; SMN2 (0.49) CYP1A2CYP2C19SLC6A2SLC6A3GAA
SCHEMBL11682775 0.75 POLB (0.49) POLBCYP1A2CYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063699-A1 N-ARYLOXYPROPANOLYL-N’-PHENETHYL-UREA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO disclosed