SCHEMBL2390812

SCHEMBL2390812

COC(=O)CC(=O)C(C)CC(C(=O)OC)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10371847 0.74 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL5143585 0.74 MME (0.47) MMEMGAMGAASIMGAM2
SCHEMBL28229964 0.71 SMN1; SMN2 (0.41) MMETSHRCA12CA14SMN1; SMN2
SCHEMBL118644 0.70 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL27499466 0.69 MME (0.53) MMECA12CA14SMN1; SMN2
SCHEMBL15874628 0.69 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL5143415 0.69 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL26759863 0.69 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL11193305 0.69 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL22089532 0.68 MGAM (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
US-20110229424-A1 FORMULA FOR REMOVING COLOR COATS AND VARIOUS SOIL LAYERS FROM SURFACES, METHOD FOR PRODUCING THE AGENT, AND METHOD FOR CLEANING BUBBLES & BEYOND GMBH 2011-09-22 US disclosed