Sugi Predict

Sugi Predict / Compounds / SCHEMBL8077755

SCHEMBL8077755

SCHEMBL8077755

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL8071264 0.78 TSHR (0.33) ALDH1A1
SCHEMBL23130665 0.74 MGAM (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31297141 0.71 MGAM (0.50) MGAMGAASIMGAM2
SCHEMBL28766415 0.71 MGAM (0.50) MGAMGAASIMGAM2
SCHEMBL28187605 0.70 MGAM (0.48) MGAMGAASIMGAM2TDP1
SCHEMBL2874787 0.68 GAA (0.46) MGAMGAASIMGAM2ALDH1A1
Isobutane SCHEMBL27834435 0.68 MGAM (0.83) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13275791 0.67 MGAM (0.44) MGAMGAASIMGAM2
SCHEMBL29191315 0.67 MGAM (0.44) MGAMGAASIMGAM2TDP1
SCHEMBL28108449 0.67 MGAM (0.50) MGAMGAASIMGAM2

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-1023340-A1 POLYMERS OF 3-BUTENE ESTERS, THEIR PREPARATION AND USE EASTMAN CHEMICAL COMPANY (US) 2000-08-02 — — EP disclosed
WO-1999020666-A1 POLYMERS OF 3-BUTENE ESTERS, THEIR PREPARATION AND USE EASTMAN CHEMICAL COMPANY (US) 1999-04-29 — — WO disclosed