SCHEMBL8836080

SCHEMBL8836080

COc1cc(C(=O)CN)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
MTNR1A P48039 1/20 0.43

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
SCHEMBL14427051 0.93 KMT2A (0.44) KMT2AMEN1MAPTTSHRMAPK1
Hydrochloric Acid SCHEMBL1725252 0.92 KMT2A (0.43) KMT2AMEN1MAPTTSHRMAPK1
Hydrochloric Acid SCHEMBL8836093 0.85 ALDH1A1 (0.43) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL10040757 0.85 ITGB3 (0.54) KMT2AMEN1MAPTTSHRMAPK1
Hydrochloric Acid SCHEMBL8835781 0.85 PDE4B (0.42) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL24933573 0.85 TSHR (0.62) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL15542418 0.85 KMT2A (0.67) KMT2AMEN1TSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL8835763 0.85 L3MBTL1 (0.42) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL24933561 0.84 MAPT (0.55) KMT2AMEN1MAPTTSHRMAPK1
SCHEMBL24933575 0.84 KMT2A (0.52) KMT2AMEN1MAPTTSHRMAPK1

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
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed