SCHEMBL7162015

SCHEMBL7162015

C[N+](C)(C)c1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ACHE P22303 2/20 0.37
HDAC8 Q9BY41 2/20 0.35
TPMT P51580 1/20 0.32
APP P05067 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2489383 0.83 APOBEC3A (0.62) APOBEC3AAPOBEC3GACHE
Iodide SCHEMBL6373433 0.79 APOBEC3A (0.69) APOBEC3AAPOBEC3GACHE
Hydrochloric Acid SCHEMBL6368015 0.79 APOBEC3A (0.59) APOBEC3AAPOBEC3GACHE
SCHEMBL2703780 0.73 TPMT (0.41) HDAC8TPMTAPPCA1CA2
SCHEMBL13567373 0.73 APOBEC3A (0.53) APOBEC3AAPOBEC3GACHE
Ethane SCHEMBL27583817 0.71 HDAC8 (0.47) HDAC8TPMTAPPCA1CA2
SCHEMBL841700 0.71 ACHE (0.53) APOBEC3AAPOBEC3GACHECA1CA2
SCHEMBL10597056 0.71 HDAC8 (0.50) HDAC8TPMTAPPCA1CA2
SCHEMBL67142 0.71
SCHEMBL6299145 0.69 APOBEC3A (0.42) APOBEC3AAPOBEC3GACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066303-B1 TRANSITION METAL COMPOUND CONTAINING CATIONIC GROUPS WHICH IS USED AS AN OLEFIN POLYMERIZATION CATALYST COMPONENT BASELL POLYOLEFINE GMBH (DE) 2003-09-10 EP claimed
US-6583238-B1 Polypropylene having extraordinarily high stereospecificity and regiospecificity; BASELL POLYOLEFINE GMBH (DE) 2003-06-24 US claimed
US-6552210-B1 Metallocenes which can be firmly fixed to support; gas phase polymerization TARGOR GMBH (DE) 2003-04-22 US claimed
EP-1066330-B1 CATALYST SYSTEM, METHOD FOR THE PRODUCTION THEREOF, AND THE UTILIZATION THEREOF FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-02-06 EP claimed
US-6583238-B1 Polypropylene having extraordinarily high stereospecificity and regiospecificity; BASELL POLYOLEFINE GMBH (DE) 2003-06-24 US disclosed
US-6552210-B1 Metallocenes which can be firmly fixed to support; gas phase polymerization TARGOR GMBH (DE) 2003-04-22 US disclosed