SCHEMBL5787121

SCHEMBL5787121

CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.46
PKM P14618 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CACNA1G O43497 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CCR3 P51677 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6845413 1.00 POLB (0.48) POLBKDM4EMEN1TP53MAPK1
SCHEMBL5783456 0.85 CCR3 (0.46) CCR3
SCHEMBL5783883 0.79 POLB (0.58) POLBKDM4EMEN1TP53MAPK1
SCHEMBL5743129 0.78 HRH2 (0.49) KDM4EMEN1KMT2AFAAHALDH1A1
SCHEMBL5743133 0.78 HRH2 (0.49) KDM4EMEN1KMT2AFAAHALDH1A1
SCHEMBL5030322 0.78 KDM1A (0.57) POLBKDM4EMEN1KMT2AFAAH
SCHEMBL5061297 0.75 POLB (0.51) POLBMAPK1ATML3MBTL1ALDH1A1
SCHEMBL4039589 0.74 MCHR1 (0.56) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5787119 0.73 FAAH (0.46) POLBKDM4EMEN1TP53MAPK1
SCHEMBL4037010 0.73 CXCR3 (0.50) KDM4EMEN1KMT2AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680408-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
WO-2005040129-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed