SCHEMBL8968059

SCHEMBL8968059

CC(C)C[C@H](NC(=O)[C@]1(Cc2ccc(O)cc2)NC(=O)CCC1=O)C(=O)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
CTSL P07711 3/20 0.34
BACE1 P56817 1/20 0.33
DDOST P39656 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP9 P14780 2/20 0.33
NLRP3 Q96P20 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32

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
SCHEMBL644954 0.83 OPRD1 (0.39) SMN1; SMN2HPGDBACE1
SCHEMBL10492892 0.77 MMP2 (0.49)
SCHEMBL8330156 0.72 MEN1 (0.39) SMN1; SMN2HPGDALDH1A1MEN1LMNA
SCHEMBL8351160 0.72 MMP1 (0.45) BACE1MEN1MAPTKMT2APSMB11
SCHEMBL18507619 0.71 ALDH1A1 (0.39) SMN1; SMN2HPGDBACE1ALDH1A1MEN1
SCHEMBL614030 0.71 TDP1 (0.36) SMN1; SMN2HPGDALDH1A1MEN1MAPT
SCHEMBL10492870 0.71 REN (0.46) BACE1
SCHEMBL9839725 0.69 MEN1 (0.44) SMN1; SMN2HPGDALDH1A1MEN1LMNA
SCHEMBL14968851 0.67 KDR (0.39) BACE1MMP9
SCHEMBL468592 0.67 MEN1 (0.43) SMN1; SMN2HPGDALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516685-A AND DNA MOLECULE ENCODING POLYPEPTIDE OF SPCIFIED AMINO ACID SEQUENCE AMGEN INC. (US) 1996-05-14 US disclosed
EP-0546156-A4 ISOLATION AND CHARACTERIZATION OF A NOVEL PROTEASE FROM STREPTOMYCES LIVIDANS 1993-06-30 EP disclosed
EP-0546156-A1 ISOLATION AND CHARACTERIZATION OF A NOVEL PROTEASE FROM STREPTOMYCES LIVIDANS AMGEN INC. (US) 1993-06-16 EP disclosed
WO-1993000925-A1 ISOLATION AND CHARACTERIZATION OF A NOVEL PROTEASE FROM STREPTOMYCES LIVIDANS AMGEN INC. (US) 1993-01-21 WO disclosed