SCHEMBL7230540

SCHEMBL7230540

Cc1ccc(S(=O)(=O)NC(Cc2ccc(OCC3CN(c4cccc(C(=N)N)c4)C(=O)O3)cc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
GRM2 Q14416 7/20 0.51
HPN P05981 5/20 0.48
ST14 Q9Y5Y6 4/20 0.48
HGFAC Q04756 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
PLG P00747 2/20 0.45
PLAU P00749 1/20 0.43

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
SCHEMBL7228277 0.94 GRM2 (0.47) ITGB3ITGA2BGRM2HPNST14
SCHEMBL7236196 0.91 ITGB3 (0.57) ITGB3ITGA2BGRM2HPNTDP1
SCHEMBL7238569 0.86 ITGB3 (0.52) ITGB3ITGA2BGRM2
SCHEMBL7229200 0.86 ITGB3 (0.50) ITGB3ITGA2BGRM2HPNTDP1
SCHEMBL7067669 0.83 GRM2 (0.62) GRM2
SCHEMBL7237655 0.82 GRM2 (0.55) GRM2TDP1
SCHEMBL7234939 0.81 ITGB3 (0.46) ITGB3ITGA2BGRM2PLG
SCHEMBL3266803 0.80 GRM2 (0.52) ITGB3ITGA2BGRM2
SCHEMBL7229618 0.79 GRM2 (0.50) ITGB3ITGA2BGRM2
SCHEMBL7064636 0.78 GRM2 (0.60) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed