SCHEMBL28599161

SCHEMBL28599161

CC(C)(C)OC(=O)CCCCOc1cccc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.46
KCNA3 P22001 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 2/20 0.42
CNR1 P21554 5/20 0.42
HTR1B P28222 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A4 P31645 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
CYP2C9 P11712 1/20 0.39
HRH1 P35367 1/20 0.38

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
SCHEMBL29288104 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL28603677 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL28590699 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL28596903 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL29288047 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL29288109 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL29288073 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL29288094 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL28596800 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1
SCHEMBL28593468 0.99 CNR2 (0.46) CNR2KCNA3PPARGPPARACNR1

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-A Compound having polycyclic aromatic skeleton and endoperoxide compound thereof 川崎化成工业株式会社 2021-09-28 CN disclosed
CN-113166036-A Photopolymerisable sensitizers having migration resistance 川崎化成工业株式会社 2021-07-23 CN disclosed