SCHEMBL28820946

SCHEMBL28820946

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HDAC1 Q13547 1/20 0.31
DEGS1 O15121 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
SCHEMBL28023555 1.00 MEN1 (0.32) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL28820899 1.00 MEN1 (0.32) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL28820892 0.95
SCHEMBL28023508 0.91
SCHEMBL28023439 0.89 PRSS1 (0.33) CYP3A4TSHRPPARGPPARAHDAC1
SCHEMBL28023396 0.89 PRSS1 (0.33) CYP3A4TSHRPPARGPPARAHDAC1
SCHEMBL28023345 0.87 NAAA (0.38) MEN1KMT2APPARGPPARA
SCHEMBL28022906 0.86 POLM (0.36) MEN1KMT2APPARGPPARA
SCHEMBL27575564 0.86 KMT2A (0.38) MEN1CYP1A2POLBCYP2D6KMT2A
SCHEMBL28023451 0.85 KDM4E (0.34) MEN1KMT2A

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