SCHEMBL5830185

SCHEMBL5830185

C=C(C(=O)N1CCN(C(C)=O)CC1)c1ccc(Sc2ccc(C)cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 11/20 0.50
ALDH1A1 P00352 7/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.44
ITGB2 P05107 10/20 0.43
ICAM1 P05362 10/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7849244 0.90 ITGAL (0.50) ITGALALDH1A1ITGB2ICAM1HPGD
SCHEMBL6198447 0.86 ITGAL (0.48) ITGALALDH1A1MAPTITGB2ICAM1
SCHEMBL5830859 0.85 ITGAL (0.57) ITGALALDH1A1MAPTITGB2ICAM1
SCHEMBL6199249 0.83 ITGAL (0.64) ITGALMAPTITGB2ICAM1MEN1
SCHEMBL5830431 0.83 ALDH1A1 (0.57) ITGALALDH1A1MAPTITGB2ICAM1
SCHEMBL6199275 0.83 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6201358 0.83 ITGAL (0.64) ITGALALDH1A1ITGB2ICAM1HPGD
SCHEMBL6196481 0.83 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL6194517 0.82 ITGAL (0.47) ITGALALDH1A1ITGB2ICAM1HPGD
SCHEMBL6194840 0.81 ITGAL (0.45) ITGALITGB2ICAM1

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-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed