SCHEMBL28023453

SCHEMBL28023453

CC(C)CC(=O)OC1C=Cc2cccc3cccc1c23

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
MIF P14174 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28023508 0.88
SCHEMBL28820892 0.85
SCHEMBL28023555 0.83 MEN1 (0.32) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL28820946 0.83 MEN1 (0.32) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL28820899 0.83 MEN1 (0.32) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL28022842 0.83 MTNR1B (0.38) ALOX15ALDH1A1MAPTKMT2A
SCHEMBL28023549 0.83 KDM4E (0.32) ALOX15ALDH1A1
SCHEMBL28023451 0.81 KDM4E (0.34) ALOX15MIFKMT2A
SCHEMBL28023380 0.81 LMNA (0.31) SMN1; SMN2
SCHEMBL28022821 0.81 POLB (0.39) ALDH1A1MAPTKMT2A

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