SCHEMBL6921387

SCHEMBL6921387

O=C(/C=C/c1cc[c]c(Cl)c1Cl)N1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
ITGB2 P05107 4/20 0.39
ICAM1 P05362 4/20 0.39
ITGAL P20701 4/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6218242 0.88 ITGAL (0.52) L3MBTL1MAPTITGB2ICAM1ITGAL
SCHEMBL6921378 0.87 MAPT (0.52) L3MBTL1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL6919351 0.86 SMN1; SMN2 (0.53) L3MBTL1MAPTITGB2ICAM1ITGAL
SCHEMBL6921585 0.84 NPC1 (0.42) L3MBTL1MAPTITGB2ICAM1ITGAL
SCHEMBL6918094 0.83 RAB9A (0.56) L3MBTL1ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL6918679 0.81 GPR183 (0.53) L3MBTL1MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL6222441 0.80 MAPT (0.40) L3MBTL1MAPTITGB2ICAM1ITGAL
SCHEMBL6817246 0.79 F2R (0.42) L3MBTL1MAPTSMN1; SMN2POLBGAA
SCHEMBL6919430 0.79 RAB9A (0.39) L3MBTL1MAPTITGB2ICAM1ITGAL
SCHEMBL7619041 0.77 LMNA (0.46) L3MBTL1LMNASMN1; SMN2GAARAB9A

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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed