SCHEMBL4612581

SCHEMBL4612581

O=C(O)CCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
PPARA Q07869 3/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
KCNH2 Q12809 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
LTB4R Q15722 1/20 0.53

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
SCHEMBL831256 0.98 MAPT (0.58) MAPTCRHBPCRHR2PPARADRD2
SCHEMBL28536387 0.98 MAPT (0.58) MAPTCRHBPCRHR2PPARADRD2
SCHEMBL93219 0.98 MAPT (0.58) MAPTCRHBPCRHR2PPARADRD2
SCHEMBL4832130 0.98 MAPT (0.58) MAPTCRHBPCRHR2PPARADRD2
SCHEMBL4656215 0.95 DRD2 (0.57) MAPTCRHBPCRHR2DRD2DRD4
SCHEMBL3032142 0.90 MAPT (0.61) MAPTCRHBPCRHR2DRD2DRD4
SCHEMBL4472172 0.84 MAPT (0.52) MAPTCRHBPCRHR2DRD2DRD4
SCHEMBL17466050 0.84 MAPT (0.60) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL31410112 0.84 MAPT (0.56) MAPTCRHBPCRHR2DRD2DRD4
SCHEMBL16261958 0.84 MAPT (0.56) MAPTCRHBPCRHR2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340776-B1 Polyhydroxyalkanoate and method for controlling molecular weight of polyhydroxyalkanoate constituted of units containing residue of phenyl-, thienyl-, or cyclohexyl-structure in side chain of molecule CANON KK (JP) 2008-02-06 EP disclosed
CN-1285640-C Molecular weight control method of poly hydroxy alkane acid ester CANON KK (JP) 2006-11-22 CN disclosed
US-6649380-B1 Microorganism biosynthesis CANON KABUSHIKI KAISHA (JP) 2003-11-18 US disclosed
US-20030208028-A1 METHOD FOR CONTROLLING MOLECULAR WEIGHT OF POLYHYDROXYALKANOTE CONSTITUTED OF UNITS CONTAINING RESIDUE OF PHENYL-, THIENYL-, OR CYCLOHEXYL-STRUCTRUE IN SIDE CHAIN OF MOLECULE CANON KABUSHIKI KAISHA (JP) 2003-11-06 US disclosed
CN-1440992-A Molecular weight control method of poly hydroxy alkane acid ester CANON KK (JP) 2003-09-10 CN disclosed
EP-1340776-A1 Method for controlling molecular weight of polyhydroxyalkanoate constituted of units containing residue of phenyl-, thienyl-, or cyclohexyl-structure in side chain of molecule CANON KABUSHIKI KAISHA (JP) 2003-09-03 EP disclosed
CN-1183770-A Piperazine derivatives, medicaments containing these compounds, their use and processes for their preparation THOMAE GMBH DR K (DE) 1998-06-03 CN disclosed