SCHEMBL27490241

SCHEMBL27490241

O=C(/C=C/c1ccc(Sc2ccc(/C=C/C(=O)NC3CCCC3)cc2C(F)(F)F)c(C(F)(F)F)c1)NC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.46
ITGAL P20701 5/20 0.44
ITGB2 P05107 4/20 0.44
ICAM1 P05362 4/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL27492373 0.98 MAOB (0.51) MAOBCYP1A2KMT2AITGALITGB2
SCHEMBL27474403 0.95 MAOB (0.47) MAOBCYP1A2ITGALITGB2ICAM1
SCHEMBL6195786 0.88 ITGB2 (0.62) MAOBITGALITGB2ICAM1
SCHEMBL7618482 0.88 ITGB2 (0.62) MAOBITGALITGB2ICAM1
SCHEMBL6194902 0.86 ITGB2 (0.62) ITGALITGB2ICAM1
SCHEMBL5829912 0.86 ITGB2 (0.48) MAOBCYP1A2ITGALITGB2ICAM1
SCHEMBL3534746 0.76 ITGAL (0.55) KMT2AITGALITGB2ICAM1ALDH1A1
SCHEMBL3534745 0.76 ITGAL (0.55) KMT2AITGALITGB2ICAM1ALDH1A1
SCHEMBL3536725 0.75 APP (0.52) ITGALITGB2ICAM1ALDH1A1POLB
SCHEMBL3536728 0.75 APP (0.52) ITGALITGB2ICAM1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN claimed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN claimed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN claimed
CN-1955164-A Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LAB (US) 2007-05-02 CN disclosed
CN-1680338-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-10-12 CN disclosed
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN disclosed