SCHEMBL9469780

SCHEMBL9469780

CCOC(=O)C(CCCCCCOc1ccc(NC(C)=O)cc1)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 5/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
TDP1 Q9NUW8 4/20 0.59
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.49
FAAH O00519 3/20 0.48

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
SCHEMBL9570672 0.83 ALDH1A1 (0.75) KMT2AMEN1MAPTTDP1LMNA
SCHEMBL9570550 0.83 ALDH1A1 (0.75) KMT2AMEN1MAPTTDP1LMNA
SCHEMBL14097352 0.82 MEN1 (0.71) KMT2AMEN1MAPTL3MBTL1CRHBP
SCHEMBL7432275 0.82 MEN1 (0.91) KMT2AMEN1MAPTL3MBTL1CRHBP
SCHEMBL7788971 0.81 KMT2A (0.60) KMT2AMEN1MAPTTDP1LMNA
SCHEMBL5883644 0.81 MEN1 (0.69) KMT2AMEN1MAPTL3MBTL1CRHBP
SCHEMBL7437760 0.81 MEN1 (0.69) KMT2AMEN1MAPTL3MBTL1CRHBP
SCHEMBL9469795 0.81 MEN1 (0.69) KMT2AMEN1MAPTL3MBTL1CRHBP
SCHEMBL8080157 0.81 TDP1 (0.88) KMT2AMEN1MAPTL3MBTL1CRHBP
SCHEMBL7571535 0.81 TDP1 (0.88) KMT2AMEN1MAPTL3MBTL1CRHBP

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-5207952-A Polyesters with pendant side chains UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 1993-05-04 US disclosed