SCHEMBL9438697

SCHEMBL9438697

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCCC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.67
ACE P12821 6/20 0.58
LMNA P02545 1/20 0.56
FKBP1A P62942 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
LTA4H P09960 3/20 0.52
ELANE P08246 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL9438980 1.00 PREP (0.67) PREPACELMNAFKBP1ASMN1; SMN2
SCHEMBL9438701 1.00 PREP (0.67) PREPACELMNAFKBP1ASMN1; SMN2
SCHEMBL7334484 0.96 PREP (0.72) PREPACELMNASMN1; SMN2ACE2
SCHEMBL22209468 0.96 PREP (0.72) PREPACELMNASMN1; SMN2ACE2
SCHEMBL7871516 0.96 PREP (0.72) PREPACELMNASMN1; SMN2ACE2
SCHEMBL10657907 0.92 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL8611215 0.92 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL8611219 0.92 PREP (0.67) PREPACELMNASMN1; SMN2ACE2
SCHEMBL12525696 0.91 PREP (0.66) PREPACELMNAFKBP1AELANE
SCHEMBL18620614 0.91 PREP (0.66) PREPACELMNAFKBP1AELANE

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
US-5348944-A Hypotensive agents SCHERING CORPORATION (US) 1994-09-20 US disclosed
EP-0050800-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-06-18 EP disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed