SCHEMBL28706287

SCHEMBL28706287

C=CCC(OC)(OC=C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.35
KCNN4 O15554 1/20 0.34
ATM Q13315 1/20 0.33
CES1 P23141 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28691442 0.83 ALDH1A1 (0.40) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL28774519 0.81 KCNN4 (0.33) ALDH1A1TSHRKMT2AMEN1MAPK1
SCHEMBL530424 0.80 ALDH1A1 (0.51) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL8837021 0.74 ALDH1A1 (0.47) ALDH1A1TSHRHTTKMT2AMEN1
Water SCHEMBL1986090 0.73 ALDH1A1 (0.46) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL9636274 0.73 ALDH1A1 (0.34) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL10600016 0.71 ALDH1A1 (0.49) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL5643547 0.71 KCNN4 (0.42) ALDH1A1KMT2AMEN1MAPK1KCNN4
SCHEMBL28022253 0.71 KCNN4 (0.42) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL7307357 0.69 ALDH1A1 (0.42) ALDH1A1TSHRHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057962-B Polymer double-chain/inorganic nano particle asymmetric compound and preparation method thereof 清华大学 2023-05-05 CN claimed
CN-114057946-B Polymer double-chain/polymer nanoparticle composite Janus material and preparation method thereof 清华大学 2022-11-11 CN claimed
CN-114057961-A Polymer double-chain/inorganic nanoparticle composite Janus material and preparation method thereof 清华大学 2022-02-18 CN claimed
CN-114057946-A Polymer double-chain/polymer nanoparticle composite Janus material and preparation method thereof 清华大学 2022-02-18 CN claimed
CN-114057962-A Polymer double-chain/inorganic nano-particle asymmetric compound and preparation method thereof 清华大学 2022-02-18 CN claimed
CN-114605601-B Active nano emulsion and preparation method thereof 清华大学 2023-08-15 CN disclosed
CN-114671987-B Active polymer microsphere and preparation method thereof 清华大学 2023-07-14 CN disclosed
CN-114057962-B Polymer double-chain/inorganic nano particle asymmetric compound and preparation method thereof 清华大学 2023-05-05 CN disclosed
CN-114057961-B Polymer double-chain/inorganic nanoparticle composite Janus material and preparation method thereof 清华大学 2022-11-18 CN disclosed
CN-114057946-B Polymer double-chain/polymer nanoparticle composite Janus material and preparation method thereof 清华大学 2022-11-11 CN disclosed
CN-114671987-A Active polymer microsphere and preparation method thereof 清华大学 2022-06-28 CN disclosed
CN-114605601-A Active nano latex and preparation method thereof 清华大学 2022-06-10 CN disclosed
CN-114057961-A Polymer double-chain/inorganic nanoparticle composite Janus material and preparation method thereof 清华大学 2022-02-18 CN disclosed
CN-114057962-A Polymer double-chain/inorganic nano-particle asymmetric compound and preparation method thereof 清华大学 2022-02-18 CN disclosed
CN-114057946-A Polymer double-chain/polymer nanoparticle composite Janus material and preparation method thereof 清华大学 2022-02-18 CN disclosed