SCHEMBL27492014

SCHEMBL27492014

C=C(C(=O)N1CCCCC1C(=O)OCC)c1ccc(Sc2ccc3c(c2)CCOO3)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
FKBP1A P62942 8/20 0.36
ITGB2 P05107 7/20 0.36
ICAM1 P05362 7/20 0.36
ITGAL P20701 7/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27473161 0.89 MEN1 (0.38) KDM4EFKBP1AALDH1A1MEN1KMT2A
SCHEMBL6197945 0.89 ITGAL (0.44) ITGB2ICAM1ITGAL
SCHEMBL27492724 0.88 KMT2A (0.38) KDM4EFKBP1AALDH1A1SMN1; SMN2MEN1
SCHEMBL27492008 0.86 ITGB2 (0.40) KDM4EITGB2ICAM1ITGALALDH1A1
SCHEMBL27475300 0.85 ALDH1A1 (0.43) KDM4EITGB2ICAM1ITGALALDH1A1
SCHEMBL6198128 0.85 ITGB2 (0.39) KDM4EITGB2ICAM1ITGALALDH1A1
SCHEMBL7620000 0.84 ITGAL (0.47) KDM4EITGB2ICAM1ITGALALDH1A1
SCHEMBL6200571 0.82 ITGAL (0.34) ITGB2ICAM1ITGAL
SCHEMBL6197045 0.81 ITGAL (0.35) ITGB2ICAM1ITGAL
SCHEMBL6199356 0.80 ITGAL (0.36) ITGB2ICAM1ITGAL

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