SCHEMBL4762166

SCHEMBL4762166

C[C@@H](CCNC(=O)OC(C)(C)C)CC(=O)N(C(=O)Nc1cccc(O)c1)C1CCCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.38
DCUN1D1 Q96GG9 2/20 0.36
UBE2M P61081 1/20 0.36
NQO2 P16083 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
SYK P43405 1/20 0.34
KDM1A O60341 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAB9A P51151 1/20 0.32
AKT1 P31749 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
USP30 Q70CQ3 1/20 0.31
REN P00797 1/20 0.31

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
SCHEMBL4762159 0.80 MAP1LC3B (0.41) SIRT5DCUN1D1UBE2MSYKMAPT
SCHEMBL6611361 0.74 SLC6A4 (0.36) NQO2REN
SCHEMBL6610805 0.72 CD274 (0.33) ALDH1A1LMNA
SCHEMBL3955656 0.67 STS (0.35) CA1CA2KDM4EREN
SCHEMBL17737203 0.66 SIRT5 (0.61) SIRT5NQO2CA1CA2MAPT
SCHEMBL13233243 0.66 CA1 (0.60) SIRT5NQO2CA1CA2SYK
SCHEMBL6214947 0.66 CTSD (0.37) AKT1
SCHEMBL6605213 0.65 KCNA5 (0.33)
SCHEMBL5983644 0.64 RXFP1 (0.43) DCUN1D1SYKRXFP1ACHE
SCHEMBL526864 0.64 SYK (0.60) SIRT5CA1SYKMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed