SCHEMBL28294243

SCHEMBL28294243

CCOCCOC(CC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.41
HSD17B10 Q99714 3/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
AR P10275 1/20 0.33
GLO1 Q04760 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL22801876 0.87 ALDH1A1 (0.40) ALDH1A1TSHRTHRBHSD17B10LMNA
SCHEMBL9656157 0.83 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10LMNA
SCHEMBL11521400 0.83 ALDH1A1 (0.47) ALDH1A1TSHRTHRBHSD17B10LMNA
SCHEMBL28842016 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTHRBHSD17B10LMNA
SCHEMBL27447790 0.82 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAALOX15MGAM
SCHEMBL16246663 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL3284678 0.81 ALDH1A1 (0.43) ALDH1A1THRBHSD17B10LMNAALOX15
SCHEMBL7595666 0.80 ALDH1A1 (0.40) ALDH1A1TSHRTHRBHSD17B10ALOX15
SCHEMBL29219066 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL7616354 0.80 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10LMNAAR

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
CN-109661243-A Biodegradable dendritic structure, method and application thereof 欧洲国家生物医学工程研究所 2019-04-19 CN disclosed