SCHEMBL7934757

SCHEMBL7934757

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SERPINE1 P05121 1/20 0.39
HTT P42858 2/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP8 P22894 1/20 0.31
ELANE P08246 1/20 0.30
TSHR P16473 2/20 0.30
CYP3A4 P08684 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
SCHEMBL11758824 0.91 ALDH1A1 (0.37) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL15933348 0.88 ALDH1A1 (0.37) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL1636727 0.88 ALDH1A1 (0.37) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL954672 0.86 MMP8 (0.38) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL15894726 0.86 KDM4E (0.40) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL12044661 0.84 LMNA (0.42) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL16033725 0.84 ALDH1A1 (0.38) ALDH1A1POLBMAPTSERPINE1HTT
SCHEMBL882160 0.84 ALDH1A1 (0.40) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL18908749 0.84 ALDH1A1 (0.33) ALDH1A1POLBMAPTSERPINE1
SCHEMBL4452697 0.84 ALDH1A1 (0.40) ALDH1A1POLBMAPTSERPINE1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133812-A Scraping liquid granite coating prepared based on secondary crosslinking technology 福建省三棵树新材料有限公司 2022-03-04 CN claimed
US-6112547-A Reduced pressure carbon dioxide-based refrigeration system SPAUSCHUS ASSOCIATES, INC. (US) 2000-09-05 US claimed
CN-114133812-A Scraping liquid granite coating prepared based on secondary crosslinking technology 福建省三棵树新材料有限公司 2022-03-04 CN disclosed
US-6242388-B1 OIL AND GAS WELLS WITH COUPLING SOLVENTS AND SURFACTANTS EASTMAN CHEMICAL COMPANY 2001-06-05 US disclosed