SCHEMBL28022732

SCHEMBL28022732

CCCCC(C)C(=O)OC1C=Cc2cccc3cccc1c23

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL28022894 0.96 KDM4E (0.36) ALDH1A1LMNAKDM4EKMT2AL3MBTL1
SCHEMBL28948789 0.96 KDM4E (0.36) ALDH1A1LMNAKDM4EKMT2AL3MBTL1
SCHEMBL28820915 0.93 TSHR (0.34) ALDH1A1LMNAKDM4EKMT2AL3MBTL1
SCHEMBL28023380 0.88 LMNA (0.31) LMNA
SCHEMBL28820887 0.85 HDAC3 (0.33) CA2LMNA
SCHEMBL28023393 0.84 KDM4E (0.32) LMNAKDM4EKMT2AL3MBTL1PRSS1
SCHEMBL28023395 0.84 KDM4E (0.33) ALDH1A1LMNAKDM4EKMT2AL3MBTL1
SCHEMBL28023549 0.83 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL28022885 0.82 LMNA (0.32) LMNA
SCHEMBL28023451 0.81 KDM4E (0.34) KDM4EKMT2AL3MBTL1

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-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN claimed
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN disclosed