SCHEMBL30003247

SCHEMBL30003247

CCOC(=O)Oc1c2ccccc2c(OC(=O)OCC)c2cc(C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
EPHX2 P34913 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PTGER4 P35408 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 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
SCHEMBL20398541 1.00 KDM4E (0.42) KDM4EMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL31080956 0.95 CYP1A2 (0.44) KDM4EMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL20398430 0.95 CYP1A2 (0.44) KDM4EMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL31080945 0.95 CYP1A2 (0.44) KDM4EMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL20398575 0.95 CYP1A2 (0.44) KDM4EMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL20398691 0.90 ALDH1A1 (0.41) KDM4EMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL19583350 0.88 TSHR (0.48) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL30004235 0.88 TSHR (0.48) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL20398619 0.87 KMT2A (0.46) KDM4EMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL20398489 0.87 KDM4E (0.44) KDM4EMAPK1L3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454090-B Compounds having a polycyclic aromatic skeleton and endoperoxide compounds thereof 川崎化成工业株式会社 2024-08-23 CN disclosed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed