SCHEMBL8657994

SCHEMBL8657994

CCOP(=O)(CCCCCOC(C)=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PPARD Q03181 1/20 0.47
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PTGS2 P35354 1/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36

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
SCHEMBL20835981 1.00 ALDH1A1 (0.48) ALDH1A1PPARDTSHRLMNAHSD17B10
SCHEMBL13291953 0.98 ALDH1A1 (0.50) ALDH1A1PPARDTSHRLMNAHSD17B10
SCHEMBL9644675 0.93 ALDH1A1 (0.52) ALDH1A1PPARDTSHRLMNAHSD17B10
SCHEMBL751991 0.85 PPARD (0.54) ALDH1A1PPARDTSHRLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28851800 0.83 PPARD (0.52) ALDH1A1PPARDTSHRLMNAHSD17B10
SCHEMBL27818763 0.81 TSHR (0.57) ALDH1A1PPARDTSHRCA12CA1
SCHEMBL11323349 0.80 PPARD (0.61) PPARDTSHR
SCHEMBL7268183 0.80 PPARD (0.61) PPARDTSHR
SCHEMBL3212690 0.80 TSHR (0.59) ALDH1A1PPARDTSHRHSD17B10
SCHEMBL11514496 0.80 PPARD (0.61) PPARDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110922437-B Glucose compound, pharmaceutical composition and application thereof 凯惠科技发展(上海)有限公司 2023-11-03 CN disclosed
CN-110922437-A Glucose compound, pharmaceutical composition and application thereof 凯惠科技发展(上海)有限公司 2020-03-27 CN disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed