SCHEMBL10757058

SCHEMBL10757058

CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O.CCCCCCCCCCCC(=O)N1CCCC1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.57
ACE2 Q9BYF1 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
REN P00797 1/20 0.49
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48

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
SCHEMBL19024566 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL5035980 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL19024592 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL10537390 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL9362232 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL10406629 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL15650373 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL5035740 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL21853572 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3
SCHEMBL5035738 1.00 ACE (0.57) ACEACE2L3MBTL1RENGNAI3

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-0240554-A1 TRANSDERMAL AND SYSTEMIC PREPARATION AND METHOD RAJADHYAKSHA, Vithal J. (US) 1987-10-14 EP disclosed
WO-1987001935-A1 TRANSDERMAL AND SYSTEMIC PREPARATION AND METHOD RAJADHYAKSHA VITHAL J 1987-04-09 WO disclosed