SCHEMBL8971446

SCHEMBL8971446

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.66
LMNA P02545 2/20 0.66
ABCB11 O95342 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
USP2 O75604 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE3A Q14432 1/20 0.58

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
SCHEMBL6417922 0.84 ACE (0.87) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL7324222 0.84 ACE (0.87) ACELMNAABCB11SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7333419 0.83 ACE (0.85) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL8972089 0.83 ACE (0.73) ACELMNAABCB11SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6414637 0.83 ACE (0.85) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL7328834 0.83 ACE (0.70) ACE
SCHEMBL10777995 0.82 ACE (0.71) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL10778000 0.82 ACE (0.71) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL10782531 0.82 ACE (0.71) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL11050947 0.82 ACE (0.70) ACELMNAABCB11SMN1; SMN2MEN1

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-0175266-B1 Antihypertensive derivatives RHONE POULENC RORER PHARMA (US) 1996-03-20 EP disclosed
EP-0175266-A2 Antihypertensive derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1986-03-26 EP disclosed