SCHEMBL28201185

SCHEMBL28201185

CC(CO)(CO)CO.CCCC(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
GMNN O75496 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL7049114 0.84 TSHR (0.36) LMNATSHR
SCHEMBL3818495 0.83 TSHR (0.39) LMNATSHRALDH1A1CYP3A4
SCHEMBL21462142 0.83 TSHR (0.39) LMNATSHRALDH1A1CYP3A4
SCHEMBL6680884 0.80 LMNA (0.43) LMNATSHRALDH1A1CYP3A4CA2
Alcohol SCHEMBL28870739 0.80
SCHEMBL9004514 0.80
SCHEMBL28703 0.80
SCHEMBL11142874 0.80 TSHR (0.42) LMNATSHRALDH1A1SPHK1CYP3A4
SCHEMBL7043478 0.79 TSHR (0.36) LMNATSHR
Ethylene Glycol SCHEMBL9422651 0.78 LMNA (0.44) LMNATSHRALDH1A1CYP3A4

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-107648666-A Implantable net 华沙整形外科股份有限公司 2018-02-02 CN disclosed