SCHEMBL8330156

SCHEMBL8330156

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MMP9 P14780 1/20 0.38
NPSR1 Q6W5P4 3/20 0.36
HTR1E P28566 2/20 0.36
S1PR3 Q99500 2/20 0.36
MYOC Q99972 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GAA P10253 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL468592 0.94 MEN1 (0.43) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL9839725 0.92 MEN1 (0.44) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL5943202 0.82 SSTR3 (0.45) MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3926322 0.80 TACR1 (0.41) LMNASMN1; SMN2HPGDMMP9
SCHEMBL3314831 0.79 TACR1 (0.41) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL8351160 0.78 MMP1 (0.45) MEN1KMT2AMAPT
SCHEMBL1088019 0.78 MMP9 (0.41) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL644954 0.76 OPRD1 (0.39) SMN1; SMN2HPGD
SCHEMBL1451494 0.75 MEN1 (0.40) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL1033030 0.75 MMP9 (0.42) MEN1KMT2ALMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972683-A THE SUBTILISIN YAB MUTANTS CAN BE USED IN VARIOUS ASPECTS SUCH AS THE QUALITY IMPROVEMENT OF MEAT AND THE PROTEIN PROCESSING FOR FOODSTUFF AND FEEDSTUFF. NATIONAL SCIENCE COUNCIL (TW) 1999-10-26 US disclosed