SCHEMBL6494064

SCHEMBL6494064

O=C(/C=C/c1ccc(Sc2ccc(/C=C/C(=O)N3CCCC(CCO)C3)c(-c3ccccc3Br)c2Cl)c(Cl)c1-c1ccccc1Br)N1CCCC(CCO)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 13/20 0.40
ICAM1 P05362 13/20 0.40
ITGAL P20701 13/20 0.40
AKR1C3 P42330 1/20 0.39
ENPP2 Q13822 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5829937 0.93 ITGB2 (0.41) ITGB2ICAM1ITGALENPP2MAPT
SCHEMBL5830033 0.84 ITGAL (0.47) ITGB2ICAM1ITGALMAPTL3MBTL1
SCHEMBL6199421 0.81 ITGAL (0.49) ITGB2ICAM1ITGALMAPTL3MBTL1
SCHEMBL5836086 0.79 ITGAL (0.49) ITGB2ICAM1ITGALENPP2MAPT
SCHEMBL6494072 0.79 ITGAL (0.50) ITGB2ICAM1ITGAL
SCHEMBL5830184 0.79 ITGAL (0.44) ITGB2ICAM1ITGALENPP2MAPT
SCHEMBL5830367 0.78 HRH3 (0.39) ITGB2ICAM1ITGALENPP2L3MBTL1
SCHEMBL7618990 0.78 ITGAL (0.60) ITGB2ICAM1ITGALL3MBTL1
SCHEMBL6198648 0.73 ITGB2 (0.47) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL5830284 0.73 OPRM1 (0.51) ITGB2ICAM1ITGALALDH1A1

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