SCHEMBL28659352

SCHEMBL28659352

NCCCP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK8 O60259 2/20 0.48
PLAU P00749 2/20 0.48
KLK2 P20151 2/20 0.48
KLK4 Q9Y5K2 2/20 0.48
SRC P12931 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
BTN3A1 O00481 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL28670781 0.94 KLK8 (0.47) KLK8PLAUKLK2KLK4SRC
SCHEMBL2595713 0.90 SRC (0.54) KLK8PLAUKLK2KLK4SRC
SCHEMBL4159188 0.88 KLK8 (0.50) KLK8PLAUKLK2KLK4SRC
SCHEMBL8370393 0.88 SRC (0.52) KLK8PLAUKLK2KLK4SRC
Hydrochloric Acid SCHEMBL7526008 0.84 SRC (0.48) KLK8PLAUKLK2KLK4SRC
SCHEMBL1822019 0.83 SRC (0.56) KLK8PLAUKLK2KLK4SRC
SCHEMBL14600653 0.81 L3MBTL1 (0.43) SRCPOLBL3MBTL1TDP1TAAR1
SCHEMBL28661904 0.81 TSHR (0.52) TAAR1MEN1KMT2A
SCHEMBL4456003 0.81 L3MBTL1 (0.50) SRCL3MBTL1
SCHEMBL11159147 0.81 HDAC3 (0.46) KLK8PLAUKLK2KLK4SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801254-B Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2023-04-07 CN claimed
CN-113801254-A Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2021-12-17 CN claimed
CN-113801254-B Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2023-04-07 CN disclosed
CN-113801254-A Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2021-12-17 CN disclosed