SCHEMBL7885355

SCHEMBL7885355

CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.42
OPRD1 P41143 1/20 0.41
CASP1 P29466 1/20 0.41
BACE1 P56817 4/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PDF Q9HBH1 1/20 0.40
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
GAA P10253 1/20 0.38
MYOC Q99972 1/20 0.38

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
SCHEMBL7694593 0.90 CASP1 (0.56) OPRD1CASP1BACE1BACE2
SCHEMBL2028887 0.89 PDF (0.43) MMP9CASP1BACE1KMT2AMEN1
SCHEMBL10071053 0.89 PDF (0.43) MMP9CASP1BACE1KMT2AMEN1
SCHEMBL18657234 0.89 PDF (0.43) MMP9CASP1BACE1KMT2AMEN1
SCHEMBL30910411 0.86 ENPEP (0.42) MMP9CASP1BACE1KMT2AMEN1
SCHEMBL29500567 0.86 PDF (0.45) MMP9CASP1BACE1KMT2AMEN1
SCHEMBL22148827 0.82 SIRT5 (0.46) ALDH1A1PDF
SCHEMBL22148813 0.82 SIRT5 (0.46) ALDH1A1PDF
SCHEMBL3512725 0.82 BACE1 (0.46) MMP9CASP1BACE1PDFBACE2
SCHEMBL9575082 0.82 CASP1 (0.53) OPRD1CASP1BACE1BACE2

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-12298207-B2 Calibration slides for digital pathology VENTANA MEDICAL SYSTEMS, INC. (US) 2025-05-13 US disclosed
US-20240175789-A1 CALIBRATION SLIDES FOR DIGITAL PATHOLOGY VENTANA MED SYST INC (US) 2024-05-30 US disclosed
US-11946838-B2 Calibration slides for digital pathology VENTANA MEDICAL SYSTEMS, INC. (US) 2024-04-02 US disclosed
US-6288037-B1 C-TERMINALLY MODIFIED PENTAPEPTIDES CONTAINING VALINE AND ASPARTIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed