SCHEMBL29074075

SCHEMBL29074075

COC(=O)[C@@H]1CC(O)(O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
IMPDH2 P12268 3/20 0.39
HDAC8 Q9BY41 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
PEPD P12955 1/20 0.34
CCR2 P41597 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
PDE4B Q07343 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
FKBP1A P62942 1/20 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
SCHEMBL20248275 0.87 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL15776671 0.87 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL15776670 0.87 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890524 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890519 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890604 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL3661716 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890537 0.86 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL20487628 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL3661719 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354865-A Synthesis method of Pa Luo Weide intermediate 成都百事兴科技实业有限公司 2023-06-30 CN claimed
CN-116354865-A Synthesis method of Pa Luo Weide intermediate 成都百事兴科技实业有限公司 2023-06-30 CN disclosed
CN-116354865-A Synthesis method of Pa Luo Weide intermediate 成都百事兴科技实业有限公司 2023-06-30 CN disclosed