SCHEMBL8808673

SCHEMBL8808673

COC1CCN(Cc2cc(=O)oc3cc4oc(=S)oc4cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 4/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 5/20 0.51
TSHR P16473 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
HSD17B10 Q99714 3/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL8706665 0.84 KMT2A (0.57) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL8708592 0.84 KMT2A (0.64) KMT2AMEN1KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL8702857 0.78 KMT2A (0.52) KMT2AMEN1KDM4EPOLBALDH1A1
Folescutol SCHEMBL554577 0.68 TDP1 (0.81) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL30507291 0.64 ALDH1A1 (0.70) KMT2AMEN1KDM4EPOLBALDH1A1
Oxazorone SCHEMBL2109280 0.64 TDP1 (0.66) KMT2AMEN1KDM4EPOLBALDH1A1
Oxazorone SCHEMBL29913823 0.64 TDP1 (0.66) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL15836699 0.63 RAB9A (0.74) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL24589796 0.62 KMT2A (0.66) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL466909 0.61 CA12 (0.83) KMT2AMEN1KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708766-B1 USE OF COUMARINS AS PLA 2-INHIBITORS, NEW COUMARINS, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-10 EP disclosed