SCHEMBL10779423

SCHEMBL10779423

C[C@H](NC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.43
▸ LMNA P02545 2/20 0.43
▸ REN P00797 4/20 0.42
▸ PEPD P12955 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ XPNPEP1 Q9NQW7 1/20 0.39

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
SCHEMBL10779336 0.94 ACE (0.42) ACELMNARENPEPDHSD17B10
SCHEMBL10779744 0.91 ACE (0.52) ACELMNARENPEPDHSD17B10
SCHEMBL30406562 0.83 KLK5 (0.46) ACEPEPDHSD17B10XPNPEP1
SCHEMBL17955686 0.81 HSD17B10 (0.44) ACELMNARENPEPDHSD17B10
SCHEMBL7433056 0.81 ACE (0.45) ACELMNAPEPDSMN1; SMN2
SCHEMBL10771306 0.81 ACE (0.45) ACELMNAPEPDSMN1; SMN2
SCHEMBL7433053 0.81 ACE (0.45) ACELMNAPEPDSMN1; SMN2
SCHEMBL10768333 0.81 ACE (0.45) ACELMNAPEPDSMN1; SMN2
SCHEMBL10771310 0.81 ACE (0.45) ACELMNAPEPDSMN1; SMN2
SCHEMBL10971210 0.80 ACE (0.51) ACELMNAACE2SMN1; SMN2

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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