SCHEMBL4703442

SCHEMBL4703442

CCN(CC)CCOc1ccc(OC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
MAOB P27338 1/20 0.58
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.54
LTA4H P09960 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
CHRNA7 P36544 1/20 0.53
ESR1 P03372 2/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
ACACB O00763 1/20 0.51

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
SCHEMBL9706125 0.84 EBP (0.72) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL3149568 0.83 EBP (0.69) EBPSIGMAR1MAOBCYP2D6HTT
SCHEMBL1735178 0.81 MCHR1 (0.52) ESR1MCHR1
SCHEMBL4088440 0.81 CYP1A2 (0.59) EBPSIGMAR1MAOBCYP2D6CYP1A2
SCHEMBL8984333 0.80 L3MBTL1 (0.56) CYP1A2LTA4HCYP2C19LMNAKMT2A
SCHEMBL8350895 0.80 TP53 (0.56) CYP2D6CYP1A2LTA4HCYP2C9CYP2C19
SCHEMBL250102 0.80 EBP (0.69) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL5810064 0.80 EBP (0.68) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL3859832 0.80 MEN1 (0.64) EBPSIGMAR1MAOBCYP1A2LMNA
SCHEMBL4693255 0.79 ESR1 (0.70) EBPSIGMAR1MAOBCYP2D6CYP1A2

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
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 EP disclosed