SCHEMBL12149975

SCHEMBL12149975

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.47
▸ CTSD P07339 4/20 0.46
▸ GNPAT O15228 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.43
▸ PTPN1 P18031 1/20 0.38
▸ BMP1 P13497 2/20 0.38
▸ MME P08473 2/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ CPA2 P48052 1/20 0.37
▸ CPA4 Q9UI42 1/20 0.37

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
SCHEMBL29517297 0.86 GNPAT (0.49) BACE1CTSDGNPATPTPN1BMP1
SCHEMBL29517479 0.84 GNPAT (0.47) BACE1CTSDGNPATBACE2PTPN1
SCHEMBL23133168 0.83 TASP1 (0.43) BACE1CTSDGNPATBACE2PTPN1
SCHEMBL23133286 0.83 TASP1 (0.43) BACE1CTSDGNPATBACE2PTPN1
SCHEMBL1499722 0.83 TASP1 (0.43) BACE1CTSDGNPATBACE2PTPN1
SCHEMBL30464991 0.83 GNPAT (0.51) BACE1GNPATBACE2
SCHEMBL31107824 0.83 GNPAT (0.51) BACE1GNPATBACE2
SCHEMBL30173847 0.83 GNPAT (0.51) BACE1GNPATBACE2
SCHEMBL29630571 0.82 BACE1 (0.43) BACE1CTSDBACE2PTPN1BMP1
SCHEMBL29517621 0.81 GNPAT (0.63) GNPATBMP1MME

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
US-8268604-B2 Compositions for forming immobilized biological layers for sensing ABBOTT POINT OF CARE INC. (US) 2012-09-18 — — US claimed
US-8268604-B2 Compositions for forming immobilized biological layers for sensing ABBOTT POINT OF CARE INC. (US) 2012-09-18 — — US disclosed
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