SCHEMBL8972536

SCHEMBL8972536

CCOC(=O)[C@@H]1CC(=O)CN1C(=O)[C@H](C)N(C(=O)OCC(Cl)(Cl)Cl)[C@@H](CCc1ccccc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 17/20 0.46
ABCB11 O95342 2/20 0.43
PDE3A Q14432 1/20 0.40
LMNA P02545 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
SCHEMBL11001187 0.86 ACE (0.41) ACEABCB11LMNA
SCHEMBL8971352 0.81 SMN1; SMN2 (0.42) ACEABCB11LMNA
SCHEMBL8971348 0.81 SMN1; SMN2 (0.42) ACEABCB11LMNA
SCHEMBL11102007 0.80 SMN1; SMN2 (0.41) ACEABCB11LMNA
SCHEMBL10602182 0.80 ACE (0.40) ACEABCB11LMNA
SCHEMBL8972089 0.76 ACE (0.73) ACEABCB11PDE3ALMNA
SCHEMBL8972073 0.73 CA1 (0.36) ACE
SCHEMBL10601120 0.71 ACE (0.34) ACEABCB11LMNA
SCHEMBL6656395 0.70 SMN1; SMN2 (0.44) ACEABCB11LMNA
SCHEMBL6656396 0.70 SMN1; SMN2 (0.44) ACEABCB11LMNA

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 5 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
US-4749698-A Antihypertensive derivatives RORER PHARMACEUTICAL CORPORATION (US) 1988-06-07 US disclosed
US-4746676-A Carboxyalkyl dipeptide compounds RORER PHARMACEUTICAL CORPORATION (US) 1988-05-24 US disclosed
EP-0175266-A2 Antihypertensive derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1986-03-26 EP disclosed
US-4555508-A Antihypertensive spiro-cyclic compounds USV PHARMACEUTICAL CORP. (US) 1985-11-26 US disclosed