SCHEMBL7445397

SCHEMBL7445397

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
CA2 P00918 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HPGD P15428 1/20 0.43
MME P08473 1/20 0.42

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 0.88 ITGB3 (0.47) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7451514 0.87 ITGB3 (0.55) KMT2AMEN1ITGB3ITGAVALDH1A1
SCHEMBL7449150 0.87 ITGB3 (0.46) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7444233 0.86 ITGB3 (0.47) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7448467 0.84 PDE4A (0.49) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7446736 0.83 ITGB3 (0.46) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7445017 0.82 ITGB3 (0.48) KMT2AMEN1ITGB3ITGAVPOLB
SCHEMBL7447599 0.82 CA2 (0.44) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7446281 0.77 FPR2 (0.45) ITGB3ITGAVALDH1A1PDE4APDE4B
SCHEMBL4882468 0.77 MMP2 (0.63) KMT2AMEN1LMNAMAPK1HTT

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