SCHEMBL1940130

SCHEMBL1940130

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)O.CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.51
▸ CALCRL Q16602 5/20 0.50
▸ REN P00797 3/20 0.50
▸ RAMP1 O60894 1/20 0.49
▸ PSMB9 P28065 1/20 0.48
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL2517659 0.97 SLC6A2 (0.53) SLC6A2CALCRLRENRAMP1PSMB9
SCHEMBL2517666 0.97 SLC6A2 (0.53) SLC6A2CALCRLRENRAMP1PSMB9
SCHEMBL31277053 0.92 SLC6A2 (0.55) SLC6A2PSMB9OPRM1OPRD1OPRK1
SCHEMBL30633420 0.88 SLC6A2 (0.62) SLC6A2CALCRLRENRAMP1PSMB9
SCHEMBL29391626 0.88 CALCRL (0.53) SLC6A2CALCRLRENRAMP1PSMB9
SCHEMBL31483294 0.86 SLC6A2 (0.60) SLC6A2CALCRLRENRAMP1
SCHEMBL15270931 0.85 LNPEP (0.52) SLC6A2CALCRLREN
SCHEMBL28522301 0.85 LNPEP (0.53) SLC6A2REN
SCHEMBL15270934 0.85 LNPEP (0.52) SLC6A2CALCRLREN
SCHEMBL28522299 0.85 LNPEP (0.53) SLC6A2REN

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-2331048-B1 OLIGOMERIC BIOSURFACTANTS OWEN DONALD (US) 2019-07-10 — — EP disclosed
EP-2331048-A1 OLIGOMERIC BIOSURFACTANTS IN DERMATOCOSMETIC COMPOSITIONS Owen, Donald (US) 2011-06-15 — — EP disclosed
WO-2009148947-A1 OLIGOMERIC BIOSURFACTANTS IN DERMATOCOSMETIC COMPOSITIONS OWEN DONALD (US) 2009-12-10 — — WO disclosed
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