SCHEMBL443735

SCHEMBL443735

CC(C)C(=O)C(C)C(=O)O.COC(=O)CC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TSHR P16473 4/20 0.34
HSD17B10 Q99714 1/20 0.32
SLC1A1 P43005 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
SCHEMBL118644 0.83 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL380319 0.76 TP53 (0.44) TSHR
Methylmalonic Acid SCHEMBL30627427 0.73 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL459974 0.72 TP53 (0.36)
Methylmalonic Acid SCHEMBL28186298 0.72 CYP2D6 (0.38) GAA
SCHEMBL28142550 0.71 MGAM (0.68) MGAMGAASIMGAM2TSHR
SCHEMBL10371847 0.71 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL9126041 0.70 TP53 (0.35)
SCHEMBL13807672 0.69 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL5143415 0.69 MGAM (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120085371-A1 METHOD AND COMPOSITION FOR CLEANING OBJECTS BUBBLES AND BEYOND GMBH (DE) 2012-04-12 US disclosed
US-20120064011-A1 PREPARATION FOR EXTERNAL APPLICATION BUBBLES AND BEYOND GMBH (DE) 2012-03-15 US disclosed