SCHEMBL28554572

SCHEMBL28554572

CCOC(=O)C(OC(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.61
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.50
MAPK1 P28482 1/20 0.50
UBE2N P61088 1/20 0.50
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MMP8 P22894 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL28541441 0.92 ALDH1A1 (0.58) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28554575 0.90 NPSR1 (0.57) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28543648 0.90 ALDH1A1 (0.61) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28541413 0.89 ALDH1A1 (0.49) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28544691 0.89 ALDH1A1 (0.49) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28539260 0.89 ALDH1A1 (0.49) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28551391 0.88 NPSR1 (0.58) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28548560 0.87 NPSR1 (0.54) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL17703536 0.87 NPSR1 (0.67) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL28543696 0.86 ALDH1A1 (0.47) NPSR1MEN1KMT2AMAPTPOLB

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-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed