SCHEMBL22898568

SCHEMBL22898568

CCC1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1(c1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 14/20 0.42
▸ ITGB2 P05107 8/20 0.42
▸ ICAM1 P05362 8/20 0.42
▸ ELANE P08246 1/20 0.42
▸ EBP Q15125 1/20 0.36
▸ AR P10275 2/20 0.35
▸ PGR P06401 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
SCHEMBL22898566 0.94 ITGAL (0.39) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898677 0.94 ITGAL (0.39) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898501 0.89 ITGAL (0.36) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898682 0.89 ITGAL (0.36) ITGALITGB2ICAM1ELANEAR
SCHEMBL22898558 0.87 ITGAL (0.41) ITGALITGB2ICAM1ELANEEBP
SCHEMBL22898598 0.84 ITGAL (0.44) ITGALITGB2ICAM1ELANE
SCHEMBL22898564 0.80 ALDH1A1 (0.40) ELANE
SCHEMBL22898693 0.78 ITGAL (0.40) ITGALITGB2ICAM1ELANE
SCHEMBL22898494 0.78 ITGAL (0.40) ITGALITGB2ICAM1ELANE
SCHEMBL22898581 0.76 ITGAL (0.43) ITGALITGB2ICAM1ELANEPGR

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-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 — — EP disclosed
Send feedback