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SCHEMBL10378644

SCHEMBL10378644

CCCCCC(=O)N[C@H](C(=O)N[C@H](CO)C(C)C)C(CO)CNC(=O)[C@H](C)N(C(=O)OCc1ccccc1-c1ccccc1)C(=O)[C@H](C)N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 5/20 0.35
▸ SOAT1 P35610 2/20 0.33
▸ CERT1 Q9Y5P4 3/20 0.32
▸ PSMB5 P28074 2/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ ASAH1 Q13510 1/20 0.30
▸ ACER2 Q5QJU3 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL7329823 1.00 CTSD (0.35) CTSDSOAT1CERT1PSMB5TLR2
SCHEMBL7332552 0.93 CTSD (0.34) CTSDSOAT1CERT1ALDH1A1ASAH1
SCHEMBL7331046 0.92 CTSD (0.33) CTSDSOAT1CERT1
SCHEMBL10376902 0.92 SOAT1 (0.34) CTSDSOAT1CERT1PSMB5TLR2
SCHEMBL7323074 0.92 SOAT1 (0.34) CTSDSOAT1CERT1PSMB5TLR2
SCHEMBL7323322 0.86 LPAR1 (0.35) —
SCHEMBL7331182 0.85 SOAT1 (0.32) SOAT1TLR2
SCHEMBL7324588 0.82 CTSD (0.32) CTSD
SCHEMBL7328766 0.80 SOAT1 (0.31) SOAT1
SCHEMBL7330316 0.80 SOAT1 (0.31) CTSDSOAT1

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO claimed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed