SCHEMBL11735656

SCHEMBL11735656

CCC(C)(CC)C(=O)OC(=O)CC(=O)OC(=O)C(C)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL1260957 0.89 FFAR3 (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2475483 0.79 DGAT1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17256455 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7059566 0.72 CYP4F2 (0.33) TSHR
SCHEMBL3444201 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27676099 0.71 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18350230 0.71 TSHR (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21912411 0.70
SCHEMBL6383219 0.70 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15082441 0.70 DGAT1 (0.46) GAA

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-4011335-A INSECTICIDES, HORMONE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 US disclosed