SCHEMBL8342965

SCHEMBL8342965

CC(C)(C)OC(=O)N1C/C(=N/O)C[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 2/20 0.36
HDAC8 Q9BY41 2/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
UCHL1 P09936 1/20 0.32

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
SCHEMBL4945424 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2PTPN1LMNANPSR1
SCHEMBL4421983 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2PTPN1LMNANPSR1
SCHEMBL4945427 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2PTPN1LMNANPSR1
SCHEMBL4421987 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2PTPN1LMNANPSR1
SCHEMBL5743539 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2PTPN1LMNANPSR1
SCHEMBL4416015 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2PTPN1LMNANPSR1
SCHEMBL5946005 0.87 HSD17B10 (0.39) HSD17B10SMN1; SMN2PTPN1LMNANPSR1
SCHEMBL13709421 0.85 PTPN1 (0.49) HSD17B10SMN1; SMN2PTPN1HDAC8LMNA
SCHEMBL4941942 0.85 MMP1 (0.40) HSD17B10SMN1; SMN2PTPN1HDAC8LMNA
SCHEMBL4941935 0.85 MMP1 (0.40) HSD17B10SMN1; SMN2PTPN1HDAC8LMNA

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
WO-2004005249-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-15 WO disclosed