SCHEMBL10376902

SCHEMBL10376902

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.34
CERT1 Q9Y5P4 3/20 0.33
PSMB5 P28074 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ASAH1 Q13510 1/20 0.32
ACER2 Q5QJU3 1/20 0.32
HPGD P15428 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
KISS1R Q969F8 1/20 0.31
TLR2 O60603 1/20 0.30
CTSD P07339 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
SCHEMBL7323074 1.00 SOAT1 (0.34) SOAT1CERT1PSMB5ALDH1A1ASAH1
SCHEMBL10378644 0.92 CTSD (0.35) SOAT1CERT1PSMB5ALDH1A1ASAH1
SCHEMBL7332552 0.92 CTSD (0.34) SOAT1CERT1ALDH1A1ASAH1ACER2
SCHEMBL7329823 0.92 CTSD (0.35) SOAT1CERT1PSMB5ALDH1A1ASAH1
SCHEMBL7331046 0.92 CTSD (0.33) SOAT1CERT1CTSD
SCHEMBL7323322 0.85 LPAR1 (0.35)
SCHEMBL7328766 0.81 SOAT1 (0.31) SOAT1
SCHEMBL7330316 0.80 SOAT1 (0.31) SOAT1CTSD
SCHEMBL7331182 0.80 SOAT1 (0.32) SOAT1TLR2
SCHEMBL7332523 0.79 SOAT1 (0.33) SOAT1PSMB5ALDH1A1ASAH1ACER2

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