SCHEMBL6498759

SCHEMBL6498759

C=C(C(=O)N1CCN(CCC(=O)O)CC1)c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ITGB2 P05107 6/20 0.47
ICAM1 P05362 6/20 0.47
ITGAL P20701 6/20 0.47
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
BCL2L1 Q07817 1/20 0.38
USP7 Q93009 1/20 0.38
USP47 Q96K76 1/20 0.38
IDO1 P14902 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 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
SCHEMBL5830818 0.91 LMNA (0.52) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL5830782 0.89 ITGB2 (0.53) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL5829924 0.85 ITGAL (0.64) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL5830427 0.83 ITGB2 (0.52) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL5830452 0.83 LMNA (0.52) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL6199570 0.82 LMNA (0.51) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL6498743 0.82 ITGB2 (0.49) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL5830016 0.82 LMNA (0.51) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL5830200 0.82 LMNA (0.49) LMNARAB9AALDH1A1ITGB2ICAM1
SCHEMBL5830388 0.82 ITGB2 (0.51) LMNARAB9AALDH1A1ITGB2ICAM1

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