SCHEMBL6497576

SCHEMBL6497576

CSc1ccc(C=CC(=O)N2CCC(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)CC2)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.48
ICAM1 P05362 6/20 0.48
ITGAL P20701 6/20 0.48
CAPN1 P07384 5/20 0.48
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6497573 1.00 ITGB2 (0.48) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL6506110 0.93 CAPN1 (0.56) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL6506117 0.93 CAPN1 (0.56) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL8297323 0.93 CAPN1 (0.56) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL6505573 0.93 CAPN1 (0.51) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL8298729 0.92 ITGB2 (0.47) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL6503817 0.92 ITGB2 (0.47) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL8296170 0.91 ITGAL (0.50) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL6495393 0.91 ITGAL (0.50) ITGB2ICAM1ITGALCAPN1MAPK1
SCHEMBL6495389 0.91 ITGAL (0.50) ITGB2ICAM1ITGALCAPN1MAPK1

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed