SCHEMBL8077045

SCHEMBL8077045

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.57
▸ BACE2 Q9Y5Z0 5/20 0.57
▸ FOLH1 Q04609 1/20 0.52
▸ ACE P12821 1/20 0.52
▸ CTSD P07339 1/20 0.51
▸ PTPN1 P18031 2/20 0.51
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 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
SCHEMBL31412760 0.91 BACE1 (0.54) BACE1BACE2
SCHEMBL30533112 0.89 NAALAD2 (0.61) FOLH1ACEOPRM1
SCHEMBL2520304 0.88 NAALAD2 (0.56) BACE1BACE2ACE
SCHEMBL2520307 0.88 NAALAD2 (0.56) BACE1BACE2ACE
SCHEMBL30587433 0.87 BACE1 (0.56) BACE1BACE2PTPN1
SCHEMBL30587431 0.87 BACE1 (0.56) BACE1BACE2PTPN1
SCHEMBL30396564 0.87 ACE (0.63) FOLH1ACEOPRM1OPRD1
SCHEMBL25627066 0.87 MME (0.57) ACEOPRM1
SCHEMBL30587432 0.86 NPY4R (0.56) BACE1BACE2PTPN1
SCHEMBL2519495 0.86 ACE (0.56) ACE

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
EP-1018977-A4 METHOD AND IMPLANTABLE ARTICLE FOR PROMOTING ENDOTHELIALIZATION SURMODICS INC (US) 2000-11-08 — — EP disclosed
EP-1018977-A1 METHOD AND IMPLANTABLE ARTICLE FOR PROMOTING ENDOTHELIALIZATION SurModics, Inc. (US) 2000-07-19 — — EP disclosed
WO-1996037165-A1 METHOD AND IMPLANTABLE ARTICLE FOR PROMOTING ENDOTHELIALIZATION BSI CORPORATION (US) 1996-11-28 — — WO disclosed
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