SCHEMBL28567440

SCHEMBL28567440

CCCC=C(C)C(=O)OCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.46
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 4/20 0.43
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 2/20 0.35
TSHR P16473 1/20 0.34
PLA2G2C Q5R387 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL28257938 0.89 DGKA (0.56) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL9333754 0.83 KDM4E (0.40) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL28152436 0.82 TSHR (0.52) FAAHCYP2D6CYP2C19TSHRALDH1A1
SCHEMBL11117446 0.82 KDM4E (0.41) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL28367146 0.81 KDM4E (0.39) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL3716635 0.81 DGKA (0.43) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL14945 0.80 LMNA (0.43) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL28359681 0.80 DGKA (0.38) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL28667284 0.80 KDM4E (0.38) DGKAKDM4EDUSP3MEN1KMT2A
SCHEMBL28041960 0.79 CYP2D6 (0.39) DGKAKDM4EDUSP3MEN1KMT2A

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-112812307-A Single-end-capped amphiphilic organosiloxane macromonomer, silicone hydrogel, corneal contact lens and preparation method 江苏海伦隐形眼镜有限公司 2021-05-18 CN disclosed