SCHEMBL8501574

SCHEMBL8501574

NC(=O)C1CC=CC2C(=O)NC(=O)C21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
BRCA1 P38398 1/20 0.30
CASP7 P55210 1/20 0.30
HBB P68871 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7617521 0.75 ALDH1A1 (0.33) MEN1KMT2AALDH1A1TSHRCASP1
SCHEMBL9500654 0.72 ALDH1A1 (0.33) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL8120429 0.69 ALDH1A1 (0.32) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL6001882 0.69
SCHEMBL9620412 0.69 ALDH1A1 (0.33) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL1316872 0.68 POLB (0.32) MEN1KMT2AALDH1A1TSHRCASP1
SCHEMBL8594521 0.68 MAPT (0.32) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL17459005 0.67
SCHEMBL31460222 0.66 BACE1 (0.31)
SCHEMBL11036556 0.66 CACNB4 (0.34) ALDH1A1TSHRCASP1BRCA1CASP7

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
EP-0918749-A1 UREA/UREIDO FUNCTIONAL POLYMERIZABLE MONOMERS Cytec Technology Corp. (US) 1999-06-02 EP disclosed
WO-1997049676-A1 UREA/UREIDO FUNCTIONAL POLYMERIZABLE MONOMERS CYTEC TECHNOLOGY CORP. (US) 1997-12-31 WO disclosed