SCHEMBL7449150

SCHEMBL7449150

CCCC[C@H](NC(=O)[C@H](CC(N)=O)NS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PLAU P00749 2/20 0.42
HPN P05981 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40

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
SCHEMBL7448898 0.93 ITGB3 (0.47) ITGB3ITGAVCA2LMNAMAPK1
SCHEMBL7445397 0.87 KMT2A (0.52) ITGB3ITGAVCA2LMNAMAPK1
SCHEMBL7451514 0.87 ITGB3 (0.55) ITGB3ITGAVKMT2AMEN1MMP2
SCHEMBL7448467 0.86 PDE4A (0.49) ITGB3ITGAVLMNAMAPK1HTT
SCHEMBL7444233 0.83 ITGB3 (0.47) ITGB3ITGAVCA2LMNAMAPK1
SCHEMBL7446736 0.83 ITGB3 (0.46) ITGB3ITGAVCA2LMNAMAPK1
SCHEMBL7445017 0.81 ITGB3 (0.48) ITGB3ITGAVKMT2AMEN1PDE4A
SCHEMBL4882468 0.79 MMP2 (0.63) ITGB3ITGAVCA2LMNAMAPK1
SCHEMBL29207010 0.79 HSD17B10 (0.56) CA2MMP2MMP9
SCHEMBL29207009 0.79 HSD17B10 (0.56) CA2MMP2MMP9

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-6221888-B1 ANTIHISTAMINE, ANTIINFLAMMATORY AGENT, AUTOIMMUNE DISEASE, RHEUMATIC DISORDERS MERCK & CO., INC. 2001-04-24 US claimed
EP-0998282-A4 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2000-08-30 EP claimed
EP-0998282-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-10 EP claimed
WO-1998053818-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed