SCHEMBL22898565

SCHEMBL22898565

CC1(C)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 3/20 0.44
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
TSHR P16473 1/20 0.44
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 2/20 0.39
PGR P06401 2/20 0.38
HSD11B1 P28845 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL22898533 1.00 ITGAL (0.44) ITGALITGB2ICAM1TSHRITGA4
SCHEMBL22898650 0.86 ITGAL (0.48) ITGALITGB2ICAM1TSHR
SCHEMBL22898628 0.82 ITGAL (0.49) ITGALITGB2ICAM1TSHRPGR
SCHEMBL22898524 0.82 ITGAL (0.49) ITGALITGB2ICAM1TSHRPGR
SCHEMBL18787397 0.79 ITGB2 (0.44) ITGALITGB2ICAM1TSHRITGA4
SCHEMBL22898545 0.79 ITGB2 (0.44) ITGALITGB2ICAM1TSHRITGA4
SCHEMBL17347214 0.79 ITGB2 (0.44) ITGALITGB2ICAM1TSHRITGA4
SCHEMBL22898531 0.79 ITGB2 (0.44) ITGALITGB2ICAM1TSHRITGA4
SCHEMBL17347078 0.79 ITGB2 (0.44) ITGALITGB2ICAM1TSHRITGA4
SCHEMBL17347077 0.79 ITGB2 (0.44) ITGALITGB2ICAM1TSHRITGA4

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