SCHEMBL10779744

SCHEMBL10779744

CCOC(=O)C(N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ FKBP1A P62942 2/20 0.42
▸ REN P00797 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PEPD P12955 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL10779423 0.91 ACE (0.43) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL10779336 0.90 ACE (0.42) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL11562020 0.87 FKBP1A (0.46) ACELMNAFKBP1ARENKDM4E
SCHEMBL10520986 0.84 ACE (0.50) ACELMNASMN1; SMN2FKBP1APEPD
SCHEMBL10520981 0.84 ACE (0.50) ACELMNASMN1; SMN2FKBP1APEPD
SCHEMBL905844 0.83 ACE (0.80) ACELMNASMN1; SMN2ALOX15
SCHEMBL10935346 0.82 CYP1A2 (0.50) ACELMNASMN1; SMN2FKBP1AMAPT
SCHEMBL10935341 0.82 CYP1A2 (0.50) ACELMNASMN1; SMN2FKBP1AMAPT
SCHEMBL10610279 0.82 ACE (0.60) ACELMNASMN1; SMN2ALOX15ACE2
SCHEMBL21166676 0.81 CTSL (0.51) ACELMNASMN1; SMN2FKBP1APEPD

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
EP-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 — — EP disclosed
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 — — US disclosed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 — — EP disclosed
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