SCHEMBL8525958

SCHEMBL8525958

CCOC(=O)COC[C@@H]1CCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.34
FKBP1A P62942 2/20 0.33

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
SCHEMBL3828293 0.85 POLB (0.38) HRH3POLBL3MBTL1CHRNB2CHRNA5
SCHEMBL6318180 0.83 KMT2A (0.43) KMT2AALDH1A1L3MBTL1
SCHEMBL13929716 0.82 CHRNB2 (0.48) KMT2AHRH3CHRNB2CHRNA5CHRNA7
SCHEMBL2566481 0.82 HSD17B10 (0.38) KMT2AALDH1A1POLBL3MBTL1
SCHEMBL3832136 0.82 HSD17B10 (0.38) KMT2AALDH1A1POLBL3MBTL1
SCHEMBL7059997 0.82 POLB (0.42) HRH3POLBL3MBTL1CHRNB2CHRNA5
SCHEMBL7298229 0.82 POLB (0.42) HRH3POLBL3MBTL1CHRNB2CHRNA5
SCHEMBL14376641 0.81 L3MBTL1 (0.45) KMT2AHRH3ALDH1A1L3MBTL1KDM4E
SCHEMBL2041988 0.79 ALDH1A1 (0.40) KMT2AHRH3ALDH1A1GABRA1GABRG2
SCHEMBL19947209 0.79 ALDH1A1 (0.40) KMT2AHRH3ALDH1A1GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923539-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-06-23 EP disclosed
WO-1998003473-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-01-29 WO disclosed