SCHEMBL6318331

SCHEMBL6318331

CCOC(=O)C1CCN(C(=O)C=Cc2ccc(Sc3ccccc3Br)c(Cl)c2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 8/20 0.62
ITGB2 P05107 7/20 0.62
ICAM1 P05362 7/20 0.62
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
ENPP2 Q13822 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL6196469 0.88 ITGAL (0.78) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL6567825 0.85 ITGAL (0.54) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL6315913 0.85 ITGAL (0.54) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL6496998 0.85 KDM4E (0.59) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL6496997 0.85 KDM4E (0.59) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL6318327 0.81 SMN1; SMN2 (0.55) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL6318322 0.80 ALDH1A1 (0.50) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6199035 0.80 ITGAL (0.82) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL7618530 0.80 ITGAL (0.81) ITGALITGB2ICAM1KDM4ESMN1; SMN2
SCHEMBL6196889 0.80 ITGAL (0.81) ITGALITGB2ICAM1KDM4ESMN1; SMN2

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
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed