SCHEMBL4939638

SCHEMBL4939638

CC(C)(C)c1cc(CC(Sc2nc3ccccc3[nH]2)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 4/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TXN P10599 1/20 0.41
MEN1 O00255 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL10872581 0.77 POLB (0.70) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL9305912 0.77 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL757400 0.76 KMT2A (0.67) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL754927 0.75 SMN1; SMN2 (0.65) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL11611412 0.74 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2POLBLMNAMAPT
SCHEMBL29555343 0.73 HMGCR (0.48) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL11121930 0.73 SMN1; SMN2 (0.73) KMT2ASMN1; SMN2POLBLMNAMAPT
SCHEMBL8973070 0.73 KMT2A (0.63) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL10645047 0.72 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL10641582 0.72 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2POLBALDH1A1LMNA

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
US-20080247949-A1 Biological Tissue Examination Agent Comprising Hemoglobin Labeled With Oxygen Isotope And Method For Producing The Same OXYGENIX CO., LTD. (JP) 2008-10-09 US disclosed
EP-1826570-A1 REAGENT CONTAINING OXYGEN ISOTOPE-LABELED HEMOGLOBIN FOR EXAMINING VITAL TISSUE AND METHOD OF PRODUCING THE SAME Oxygenix Co., Ltd. (JP) 2007-08-29 EP disclosed
US-20060249456-A1 Method of removing carbon monoxide from an oxygen carrier and apparatus for removing carbon monoxide NIPRO CORPORATION (JP) 2006-11-09 US disclosed