SCHEMBL6494066

SCHEMBL6494066

C=C(C(=O)N1CCCC(CCO)C1)c1ccc(Sc2ccccc2Br)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.40
PDE7A Q13946 1/20 0.36
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 4/20 0.33
EPHX2 P34913 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
SPR P35270 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5829934 0.93 EPHX2 (0.40) PDE7AALDH1A1LMNAEPHX2MAPT
SCHEMBL5830031 0.83 PDE7A (0.44) PDE7AALDH1A1LMNAMAPTKMT2A
SCHEMBL6494059 0.82 PDE7A (0.36) PDE7AALDH1A1LMNAMAPTKMT2A
SCHEMBL6197862 0.80 PDE7A (0.41) PDE7AGRM5ALDH1A1LMNAEPHX2
SCHEMBL6494072 0.80 ITGAL (0.50)
SCHEMBL5836083 0.79 ITGAL (0.41) PDE7AALDH1A1LMNARAB9AHPGD
SCHEMBL5830364 0.78 PDE7A (0.38) PDE7AALDH1A1LMNAMAPTKMT2A
SCHEMBL5830183 0.78 PDE7A (0.36) PDE7AALDH1A1LMNARAB9ASPR
SCHEMBL7702269 0.77 ITGB2 (0.48) PDE7AALDH1A1LMNAKMT2AMEN1
SCHEMBL5830812 0.75 SPR (0.42) PDE7AALDH1A1LMNAMAPTKMT2A

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
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed