SCHEMBL17732678

SCHEMBL17732678

CC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.67
▸ MME P08473 3/20 0.63
▸ CTSS P25774 1/20 0.60
▸ CTSK P43235 1/20 0.60
▸ PAM P19021 1/20 0.57
▸ LTA4H P09960 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ACE P12821 1/20 0.51
▸ CPA1 P15085 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ MMP2 P08253 2/20 0.50
▸ MMP1 P03956 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
SCHEMBL30533197 1.00 GNPAT (0.67) GNPATMMECTSSCTSKPAM
SCHEMBL30799905 1.00 GNPAT (0.67) GNPATMMECTSSCTSKPAM
SCHEMBL7437335 0.94 GNPAT (0.63) GNPATMMECTSSCTSKPAM
SCHEMBL17732682 0.94 GNPAT (0.60) GNPATMMECTSSCTSKPAM
SCHEMBL31651396 0.92 GNPAT (0.61) GNPATMMECTSSCTSKPAM
SCHEMBL1081111 0.91 GNPAT (0.73) GNPATMMECTSSCTSKPAM
SCHEMBL6677690 0.91 GNPAT (0.73) GNPATMMECTSSCTSKPAM
SCHEMBL27817100 0.91 GNPAT (0.73) GNPATMMECTSSCTSKPAM
SCHEMBL5692056 0.91 GNPAT (0.73) GNPATMMECTSSCTSKPAM
SCHEMBL25626304 0.90 ACE (0.60) GNPATMMECTSSCTSKACE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334304-B2 Self-assembling peptides bearing organic electronic functionality and applications employing the same THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-10 — — US disclosed
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