SCHEMBL28366362

SCHEMBL28366362

CC1C=CC(C)C2C(=O)N(O)C(=O)C12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
LMNA P02545 1/20 0.33
AADAT Q8N5Z0 1/20 0.32

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
SCHEMBL10035468 0.77 GSK3A (0.33) ALDH1A1
SCHEMBL3823746 0.74 ALDH1A1 (0.55) ALDH1A1TDP1POLB
SCHEMBL1931322 0.74 ALDH1A1 (0.56) ALDH1A1TDP1POLBLMNA
SCHEMBL110450 0.69 ALDH1A1 (0.39) ALDH1A1TDP1POLBAADAT
SCHEMBL21909372 0.69 POLB (0.35) TDP1POLBCTDSP1
SCHEMBL22895257 0.69 ALDH1A1 (0.39) ALDH1A1TDP1POLBAADAT
SCHEMBL44079 0.68 ATM (0.52) ALDH1A1TDP1POLB
SCHEMBL18912900 0.68 ATM (0.52) ALDH1A1TDP1POLB
SCHEMBL22922483 0.68 ALDH1A1 (1.00) ALDH1A1TDP1POLBLMNA
SCHEMBL18386589 0.68 ALDH1A1 (1.00) ALDH1A1TDP1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113769086-A Targeted therapeutic drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-10 CN claimed
CN-113750247-A Tumor targeting drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN claimed
CN-113750257-A Tumor targeted imaging material, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN claimed
CN-113769086-A Targeted therapeutic drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-10 CN disclosed
CN-113750247-A Tumor targeting drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN disclosed
CN-113750257-A Tumor targeted imaging material, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN disclosed
CN-109535162-B Preparation method of N-p-aminobenzoyl glutamyl folic acid 浙江圣达生物药业股份有限公司 2020-03-24 CN disclosed