SCHEMBL5697016

SCHEMBL5697016

CCO[Si](OCC)(OCC)c1ccc(CN2CCCN(Cc3ccc([Si](OCC)(OCC)OCC)cc3)CCN(Cc3ccc([Si](OCC)(OCC)OCC)cc3)CCCN(Cc3ccc([Si](OCC)(OCC)OCC)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
CHKA P35790 5/20 0.49
HRH3 Q9Y5N1 2/20 0.48
NCF1 P14598 2/20 0.46
CA2 P00918 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HRH4 Q9H3N8 1/20 0.44
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5696984 0.78 LTA4H (0.46) KDM4EHRH3ALDH1A1MEN1KMT2A
SCHEMBL20478197 0.74 NQO1 (0.35)
SCHEMBL50701 0.74 NQO1 (0.35)
SCHEMBL6659263 0.74 GAA (0.32) KDM4ETSHRALDH1A1MEN1KMT2A
SCHEMBL181016 0.73 CA1 (0.32) CA2
SCHEMBL3458351 0.73 TAAR1 (0.33) GFER
SCHEMBL3482503 0.73 TP53 (0.39) CA2TSHRALDH1A1
SCHEMBL1223710 0.72 AKT1 (0.33) ALDH1A1
SCHEMBL1045984 0.71 ALDH1A1 (0.74) KDM4ECHKAHRH3NCF1CA2
SCHEMBL1045595 0.71 ALDH1A1 (0.74) KDM4ECHKAHRH3NCF1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325939-B1 Process for preparing co-gels having polyazacycloalkane moieties and their use AIR LIQUIDE (FR) 2006-06-14 EP claimed
EP-1325939-A2 Process for preparing co-gels having polyazacycloalkane moieties and their use L'Air Liquide S. A. à Directoire et Conseil de Surveillance pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2003-07-09 EP claimed
EP-1051422-B1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS AIR LIQUIDE (FR) 2003-07-02 EP claimed
US-6524372-B1 Separation and purification of gases; 1,4,8,11-Tetrakis(3-(triethoxysilyl)propyl)-1,4,8,11 -tetraazacyclotetradecane L′Air Liquide, Societe Anonyme a Directoire et Conseil de Surveillance pour l′Etude et l′Exploitation des Procedes Georges Claude (FR) 2003-02-25 US claimed
EP-1325939-B1 Process for preparing co-gels having polyazacycloalkane moieties and their use AIR LIQUIDE (FR) 2006-06-14 EP disclosed
EP-1325939-A2 Process for preparing co-gels having polyazacycloalkane moieties and their use L'Air Liquide S. A. à Directoire et Conseil de Surveillance pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2003-07-09 EP disclosed
EP-1051422-B1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS AIR LIQUIDE (FR) 2003-07-02 EP disclosed
US-6524372-B1 Separation and purification of gases; 1,4,8,11-Tetrakis(3-(triethoxysilyl)propyl)-1,4,8,11 -tetraazacyclotetradecane L′Air Liquide, Societe Anonyme a Directoire et Conseil de Surveillance pour l′Etude et l′Exploitation des Procedes Georges Claude (FR) 2003-02-25 US disclosed