SCHEMBL6918094

SCHEMBL6918094

O=C(/C=C/c1cc[c]c(Cl)c1Cl)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.50
ITGAL P20701 5/20 0.49
ITGB2 P05107 4/20 0.49
ICAM1 P05362 4/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.48
PLAU P00749 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOB P27338 1/20 0.44

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
SCHEMBL6921378 0.88 MAPT (0.52) RAB9ANPC1L3MBTL1KDM4EHPGD
SCHEMBL6921387 0.83 L3MBTL1 (0.42) RAB9ANPC1L3MBTL1KDM4EHPGD
SCHEMBL6918679 0.82 GPR183 (0.53) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6218242 0.81 ITGAL (0.52) RAB9ANPC1L3MBTL1ITGALITGB2
SCHEMBL6817246 0.80 F2R (0.42) RAB9AL3MBTL1TDP1HPGDPOLB
SCHEMBL6919351 0.80 SMN1; SMN2 (0.53) RAB9ANPC1L3MBTL1KDM4EITGAL
SCHEMBL6919430 0.80 RAB9A (0.39) RAB9ANPC1L3MBTL1TDP1HPGD
SCHEMBL6921585 0.78 NPC1 (0.42) RAB9ANPC1L3MBTL1ITGALITGB2
SCHEMBL7641657 0.76 ITGAL (0.76) RAB9ANPC1L3MBTL1TDP1KDM4E
SCHEMBL6920036 0.76 ITGAL (0.76) RAB9ANPC1L3MBTL1TDP1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed