SCHEMBL6152351

SCHEMBL6152351

CC(=C(C(=O)O)C(=O)CCc1ccccc1COCCN1CCCC1)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6153010 0.92 POLB (0.46) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6153623 0.81 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HRH3HTT
SCHEMBL6152949 0.79 PLAAT3 (0.35) MAPT
SCHEMBL6152322 0.77 LTA4H (0.51) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6152350 0.77 HPGD (0.39) L3MBTL1KDM4EMEN1KMT2AHPGD
SCHEMBL6152608 0.72 CYP4F2 (0.54) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6153126 0.71 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6152429 0.67 ALDH1A1 (0.53) L3MBTL1KDM4EKMT2AALDH1A1MAPT
SCHEMBL6153062 0.66 HPGD (0.34) L3MBTL1KDM4EMEN1KMT2AHPGD
SCHEMBL6152414 0.66 PTAFR (0.37) L3MBTL1KDM4EMEN1KMT2AHPGD

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-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed