SCHEMBL9636883

SCHEMBL9636883

COC(=O)C[C@@H](C(=O)OC)N(Cl)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10788140 0.81 SMN1; SMN2 (0.32) TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11004964 0.81 SMN1; SMN2 (0.32) TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10019517 0.79 MGAM (0.37) MGAMGAASIMGAM2TSHR
SCHEMBL31221642 0.76 KMT2A (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL31221644 0.73 TSHR (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL1480200 0.67 TSHR (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL15455290 0.67 CA14 (0.36) TSHR
SCHEMBL3410284 0.66 TSHR (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL6442162 0.66 TSHR (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL3237660 0.66 KMT2A (0.48) MGAMGAASIMGAM2TSHR

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
EP-0493813-A1 2,5-Dioxopiperazine compound and processes for preparation thereof Ajinomoto Co., Inc. (JP) 1992-07-08 EP disclosed