SCHEMBL6317025

SCHEMBL6317025

C=C(C(=O)N1CCOCC1)c1ccc(Sc2ccccc2Br)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 7/20 0.43
ITGB2 P05107 6/20 0.43
ICAM1 P05362 6/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.38
MGLL Q99685 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7641650 0.90 ITGAL (0.43) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL6309661 0.88 MGLL (0.44) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL6317717 0.87 ITGAL (0.43) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL6310682 0.83 KMT2A (0.49) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL6317609 0.82 ITGAL (0.43) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL7702269 0.82 ITGB2 (0.48) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL6919945 0.80 ITGAL (0.48) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL6312040 0.79 ITGAL (0.47) ITGALITGB2ICAM1KMT2AALDH1A1
SCHEMBL6318322 0.79 ALDH1A1 (0.50) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL6318620 0.79 ITGAL (0.43) ITGALITGB2ICAM1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed