SCHEMBL27475299

SCHEMBL27475299

CCOC(=O)C1CCCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)C1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 12/20 0.80
ITGB2 P05107 9/20 0.80
ICAM1 P05362 9/20 0.80
HTT P42858 1/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL27473967 1.00 ITGAL (0.80) ITGALITGB2ICAM1HTTALDH1A1
SCHEMBL6198458 1.00 ITGAL (0.80) ITGALITGB2ICAM1HTTALDH1A1
SCHEMBL6198130 0.96 ITGAL (0.74) ITGALITGB2ICAM1HTTALDH1A1
SCHEMBL6201065 0.91 ITGAL (0.78) ITGALITGB2ICAM1ALDH1A1GAA
SCHEMBL27492007 0.91 ITGAL (0.78) ITGALITGB2ICAM1ALDH1A1GAA
SCHEMBL27476327 0.89 ITGAL (0.66) ITGALITGB2ICAM1HTTALDH1A1
SCHEMBL6196378 0.89 ITGAL (0.66) ITGALITGB2ICAM1HTTALDH1A1
SCHEMBL7613911 0.88 ITGAL (0.62) ITGALITGB2ICAM1HTTALDH1A1
SCHEMBL27490235 0.86 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL6197693 0.86 ITGAL (0.76) 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 7 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-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