SCHEMBL9010647

SCHEMBL9010647

CCCCCCCCCCCCCCCC(=O)N[CH]c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
FAAH O00519 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SOAT1 P35610 3/20 0.55
SOAT2 O75908 1/20 0.55
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53

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
SCHEMBL8663546 0.98 EPHX2 (0.58) EPHX2MEN1KMT2AFAAHALDH1A1
SCHEMBL622137 0.86 ALOX5 (0.51) EPHX2ALDH1A1
SCHEMBL5328022 0.81 ALDH1A1 (0.64) EPHX2MEN1KMT2AFAAHALDH1A1
SCHEMBL2264042 0.79 KMT2A (0.48) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL6756071 0.78 TDP1 (0.57) EPHX2MEN1KMT2AFAAHALDH1A1
SCHEMBL449958 0.78 MMP2 (0.46) CNR2
SCHEMBL6638156 0.77 ATM (0.75) ALDH1A1LMNA
SCHEMBL1562939 0.77 ATM (0.75) ALDH1A1LMNA
SCHEMBL1562940 0.77 ATM (0.75) ALDH1A1LMNA
SCHEMBL1563594 0.77 ATM (0.75) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933016-B2 Metallodrugs having improved pharmacological properties and methods of manufacture and use thereof MetalloPharm, LLC (US) 2015-01-13 US disclosed
US-20140377289-A1 Metallodrugs Having Improved Pharmacological Properties, and Methods of Manufacture and Use Thereof METALLOPHARM LLC (US) 2014-12-25 US disclosed
US-8859492-B2 Metallodrugs having improved pharmacological properties, and methods of manufacture and use thereof MetalloPharm, LLC (US) 2014-10-14 US disclosed
EP-2707394-A2 METALLODRUGS HAVING IMPROVED PHARMACOLOGICAL PROPERTIES, AND METHODS OF MANUFACTURE AND USE THEREOF Metallopharm LLC (US) 2014-03-19 EP disclosed
US-20130210705-A1 METALLODRUGS HAVING IMPROVED PHARMACOLOGICAL PROPERTIES AND METHODS OF MANUFACTURE AND USE THEREOF METALLOPHARM LLC (US) 2013-08-15 US disclosed
WO-2013109927-A2 METALLODRUGS HAVING IMPROVED PHARMACOLOGICAL PROPERTIES AND METHODS OF MANUFACTURE AND USE THEREOF METALLOPHARM LLC (US) 2013-07-25 WO disclosed
WO-2012155124-A2 METALLODRUGS HAVING IMPROVED PHARMACOLOGICAL PROPERTIES, AND METHODS OF MANUFACTURE AND USE THEREOF METALLOPHARM LLC (US) 2012-11-15 WO disclosed
US-20120289454-A1 METALLODRUGS HAVING IMPROVED PHARMACOLOGICAL PROPERTIES, AND METHODS OF MANUFACTURE AND USE THEREOF METALLOPHARM LLC (US) 2012-11-15 US disclosed
EP-0279307-B2 Bifunctional chelating agents ABBOTT LAB (US) 1996-11-13 EP disclosed
US-5227474-A Complexing with radioactive metals, binding to biologically active molecules for treatment of tumors and diagnostic imaging ABBOTT LABORATORIES (US) 1993-07-13 US disclosed
US-5057302-A Stable metal complexes of a substrate having a carboxymethyl arm of a polyaminopolycarboxylate framework; medical diagnosis; immunoassay; radiology; antitumor and anticarcinogenic agents ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
EP-0279307-A2 Bifunctional chelating agents ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed