Sugi Predict

Sugi Predict / Compounds / SCHEMBL6743732

SCHEMBL6743732

SCHEMBL6743732

CCC(C)(C)OCC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CES2 O00748 1/20 0.35
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GAA P10253 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
SCHEMBL12888574 0.88 CES2 (0.33) ALDH1A1TDP1TSHRCES2
SCHEMBL2560726 0.80 TSHR (0.38) ALDH1A1TDP1TSHR
SCHEMBL19821812 0.76 TSHR (0.40) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL19821902 0.76 TSHR (0.33) ALDH1A1TDP1TSHR
SCHEMBL6686581 0.76 — —
SCHEMBL24031233 0.75 ALDH1A1 (0.33) ALDH1A1TDP1TSHRLMNA
SCHEMBL19821855 0.75 MCL1 (0.37) ALDH1A1TDP1TSHRLMNA
SCHEMBL6234482 0.75 ALDH1A1 (0.33) ALDH1A1TDP1TSHR
SCHEMBL26789343 0.74 CES2 (0.37) CES2LMNAHSD17B10
SCHEMBL11236691 0.74 — —

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-6700014-B2 Process for extracting oleanolic acid from plant material E. & J. GALLO WINERY 2004-03-02 — — US claimed
US-20030114708-A1 Process for extracting oleanolic acid from plant material E. & J. GALLO WINERY 2003-06-19 — — US claimed