SCHEMBL4407803

SCHEMBL4407803

CCCCOCCCNC(=O)c1cnc(C(=O)O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
SMPD1 P17405 1/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
CNR2 P34972 2/20 0.45
BRD4 O60885 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 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
SCHEMBL8882838 0.93 KMT2A (0.50) GAAMAPTSMN1; SMN2SMPD1KMT2A
SCHEMBL8884073 0.91 GAA (0.55) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL966853 0.86 KMT2A (0.53) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL20336258 0.86 GAA (0.51) GAAMAPTSMN1; SMN2HPGDTSHR
SCHEMBL8786227 0.85 GAA (0.52) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8786409 0.85 TP53 (0.55) HPGDKMT2AMEN1POLBBRD4
SCHEMBL8883714 0.83 MEN1 (0.50) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8880594 0.83 MEN1 (0.50) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8881979 0.83 MEN1 (0.50) GAAMAPTSMN1; SMN2HPGDSMPD1
SCHEMBL8882701 0.83 MEN1 (0.50) GAAMAPTSMN1; SMN2HPGDSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008040002-A9 METHODS, COMPOSITIONS AND ARTICLES OF MANUFACTURE FOR HIF MODULATING COMPOUNDS HUTCHINSON FRED CANCER RES (US) 2009-04-16 WO disclosed
WO-2008040002-A2 METHODS, COMPOSITIONS AND ARTICLES OF MANUFACTURE FOR HIF MODULATING COMPOUNDS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-04-03 WO disclosed
US-5658933-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed