SCHEMBL7323101

SCHEMBL7323101

CCCCCC(=O)N[C@]([C]=O)(Cc1ccccc1-c1ccccc1)C(CO)CNC(=O)[C@H](C)N(C(=O)OCc1ccccc1)C(=O)[C@H](C)N

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.33
PPARA Q07869 1/20 0.32
SOAT1 P35610 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
SIRT1 Q96EB6 4/20 0.31
SIRT3 Q9NTG7 3/20 0.31
CAPN1 P07384 1/20 0.31
CAPN2 P17655 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TLR2 O60603 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
SCHEMBL9297056 0.86 SIRT2 (0.34) SIRT2PPARASOAT1MEN1ALDH1A1
SCHEMBL7332120 0.85 SIRT2 (0.33) SIRT2PPARAMEN1ALDH1A1HPGD
SCHEMBL7323558 0.85 SIRT2 (0.33) SIRT2PPARAMEN1ALDH1A1HPGD
SCHEMBL7333687 0.84 SIRT2 (0.32) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL7323289 0.84 CTSL (0.41) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL7331182 0.81 SOAT1 (0.32) SOAT1TLR2
SCHEMBL7329917 0.80 SIRT2 (0.35) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL7328766 0.80 SOAT1 (0.31) PPARASOAT1
SCHEMBL7330316 0.80 SOAT1 (0.31) SOAT1
SCHEMBL7324588 0.77 CTSD (0.32)

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 disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed