SCHEMBL29354562

SCHEMBL29354562

CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
KDM4E B2RXH2 1/20 0.82
HKDC1 Q2TB90 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
SAE1 Q9UBE0 1/20 0.82
UBA2 Q9UBT2 1/20 0.82
PTGFR P43088 9/20 0.76
LMNA P02545 3/20 0.76
TBXA2R P21731 1/20 0.76
PTGER1 P34995 1/20 0.76
PTGER4 P35408 1/20 0.76
PTGER3 P43115 1/20 0.76
PTGDR Q13258 1/20 0.76
SLCO2A1 Q92959 1/20 0.76
HPGD P15428 2/20 0.67
ABCC4 O15439 2/20 0.67
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
HIF1A Q16665 1/20 0.65
PGR P06401 1/20 0.62

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
SCHEMBL30442154 0.93 ALDH1A1 (0.71) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL15698275 0.91 ALDH1A1 (0.68) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL15698223 0.91 ALDH1A1 (0.68) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7667980 0.90 ALDH1A1 (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL14140434 0.90 ALDH1A1 (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7667993 0.90 ALDH1A1 (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7667989 0.90 ALDH1A1 (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL14601277 0.90 ALDH1A1 (0.66) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL19556826 0.89 PDE4D (0.72) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL18656723 0.89 PDE4D (0.72) ALDH1A1KDM4EHKDC1TDP1SAE1

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
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
CN-114796219-A Compound pharmaceutical composition for treating glaucoma and application thereof 沈阳药科大学 2022-07-29 CN disclosed