SCHEMBL5696984

SCHEMBL5696984

CCO[Si](OCC)(OCC)c1ccc(CN2CCNC(=O)CCN(Cc3ccc([Si](OCC)(OCC)OCC)cc3)CCNC(=O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CXCR4 P61073 5/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 1/20 0.35
CXCL12 P48061 1/20 0.35

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
SCHEMBL5697016 0.78 KDM4E (0.52) KDM4EMEN1KMT2AHRH3ALDH1A1
SCHEMBL15963172 0.76 LTA4H (0.53) LTA4HMAPTLMNAPKMCXCR4
SCHEMBL14025005 0.76 LMNA (0.59) LTA4HLMNAPKMCXCR4KDM4E
SCHEMBL2904306 0.74 SIGMAR1 (0.62) LTA4HLMNAPKMPOLBGAA
SCHEMBL6659263 0.73 GAA (0.32) LMNAKDM4EGAAMEN1KMT2A
SCHEMBL14287705 0.70 HRH3 (0.67) CHRM2HRH3ALDH1A1
SCHEMBL14107874 0.69 CRBN (0.40) LTA4HMAPTLMNAPKMNPSR1
SCHEMBL14287706 0.67 HRH3 (0.76) HRH3
SCHEMBL17468364 0.66 CXCR4 (0.55) LMNACXCR4POLBKDM4EGAA
SCHEMBL20478197 0.66 NQO1 (0.35)

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