SCHEMBL27492007

SCHEMBL27492007

CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 14/20 0.78
ITGB2 P05107 10/20 0.78
ICAM1 P05362 10/20 0.78
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48

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
SCHEMBL6201065 1.00 ITGAL (0.78) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6198130 0.95 ITGAL (0.74) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6198458 0.91 ITGAL (0.80) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27475299 0.91 ITGAL (0.80) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27473967 0.91 ITGAL (0.80) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6196891 0.88 ITGAL (1.00) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27473969 0.88 ITGAL (0.78) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL7619124 0.88 ITGAL (0.60) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6195722 0.87 ITGAL (0.82) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27476333 0.87 ITGAL (0.82) ITGALITGB2ICAM1NPC1RAB9A

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