SCHEMBL11069825

SCHEMBL11069825

CC(Cl)=CCNC(C(=O)OCc1cccc(C(=O)c2ccccc2)n1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.36
POLB P06746 3/20 0.35
BRD4 O60885 1/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL11069822 1.00 PDE5A (0.36) PDE5APOLBBRD4PDE1APDE1B
SCHEMBL11064786 0.84 POLB (0.36) PDE5APOLBBRD4PDE1APDE1B
SCHEMBL11068255 0.82 ADAMTS4 (0.37) PDE5APOLBPDE1APDE1BPDE1C
SCHEMBL11068260 0.82 ADAMTS4 (0.37) PDE5APOLBPDE1APDE1BPDE1C
SCHEMBL11471667 0.78 MRGPRX4 (0.43) PDE5APOLBBRD4KDM4EL3MBTL1
SCHEMBL11064972 0.75 BRD4 (0.39) PDE5ABRD4PDE1APDE1BPDE1C
SCHEMBL11068569 0.75 ADAMTS4 (0.36) PDE5APOLBPDE1APDE1BPDE1C
SCHEMBL11472173 0.74 ALDH1A1 (0.47) PDE5ABRD4PDE1APDE1BPDE1C
SCHEMBL11474142 0.72 MAPT (0.51) POLBALDH1A1HPGDMRGPRX4LMNA
SCHEMBL11403558 0.71 MRGPRX4 (0.42) PDE5APDE1APDE1BPDE1CL3MBTL1

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
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 US disclosed