SCHEMBL28762265

SCHEMBL28762265

C=COC(C=C)(CCC)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.33
TSHR P16473 2/20 0.33
IDO1 P14902 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
AGXT P21549 1/20 0.31
PTPN1 P18031 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 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
SCHEMBL28886013 0.88 TSHR (0.35) CETPTSHRIDO1CA1CA2
SCHEMBL28886008 0.85 AKR1B10 (0.33) CA1CA2CA9MAPT
SCHEMBL8711753 0.76 TSHR (0.36) CETPTSHRIDO1CA1CA2
SCHEMBL28886018 0.74 TSHR (0.38) TSHRIDO1CA1CA2CA7
SCHEMBL28886014 0.73 HCAR2 (0.33) IDO1CA1CA2CA9TP53
SCHEMBL8707828 0.73 CETP (0.39) CETPTSHRALDH1A1GAATP53
SCHEMBL16177914 0.71 ATM (0.37) TSHRIDO1ALDH1A1AGXTMAPT
SCHEMBL11985625 0.70 TSHR (0.40) CETPTSHRIDO1KDM4EALDH1A1
SCHEMBL29128959 0.70 TSHR (0.40) CETPTSHRIDO1ALDH1A1AGXT
SCHEMBL6811521 0.70 CETP (0.39) CETPTSHRALDH1A1GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057961-B Polymer double-chain/inorganic nanoparticle composite Janus material and preparation method thereof 清华大学 2022-11-18 CN claimed
CN-114605601-A Active nano latex and preparation method thereof 清华大学 2022-06-10 CN claimed
CN-114605601-A Active nano latex and preparation method thereof 清华大学 2022-06-10 CN disclosed