SCHEMBL10385087

SCHEMBL10385087

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PEPD P12955 3/20 0.39
▸ XPNPEP1 Q9NQW7 2/20 0.37
▸ FKBP1A P62942 1/20 0.36
▸ ABCB11 O95342 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL10385088 1.00 ACE (0.51) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10385089 0.94 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10385091 0.94 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10520233 0.90 ACE (0.49) ACELMNASMN1; SMN2PEPDFKBP1A
SCHEMBL10520228 0.90 ACE (0.49) ACELMNASMN1; SMN2PEPDFKBP1A
SCHEMBL10384148 0.90 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384303 0.90 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384305 0.90 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384147 0.90 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384057 0.89 ACE (0.48) ACELMNASMN1; SMN2PEPDXPNPEP1

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
US-4977179-A Inhibiting angiotensin converting enzyme OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-12-11 — — US disclosed
Send feedback