SCHEMBL29594147

SCHEMBL29594147

OCCOCCOc1cc2ccccc2c(-c2cccc3ccccc23)c1OCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTR1B P28222 3/20 0.39
HTR1D P28221 1/20 0.39
NCF1 P14598 3/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
SLC6A9 P48067 1/20 0.34
MCL1 Q07820 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNA3 P22001 1/20 0.34

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
SCHEMBL29351066 0.92 HTR1B (0.43) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL11331409 0.92 HTR1B (0.43) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL29512341 0.88 CNR2 (0.46) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL29764015 0.87 CNR2 (0.47) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL29601571 0.85 CHRNB4 (0.39) HTR1BHTR1DIDO1SLC6A9MCL1
SCHEMBL28437718 0.84 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL29601891 0.83 HTR1B (0.42) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL29683653 0.81 GPR84 (0.39) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL29663218 0.81 IDO1 (0.35) KDM4EMEN1KMT2AALDH1A1HTR1B
SCHEMBL29601474 0.81 IDO1 (0.36) ALDH1A1HTR1BHTR1DIDO1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979936-B Method for preparing polycarbonate by using eutectic solvent as catalyst 中国科学院过程工程研究所 2022-04-15 CN claimed
CN-113727961-B Dicarboxylic acids, process for producing the same, and use thereof 大阪燃气化学有限公司 2024-09-03 CN disclosed
CN-112979936-B Method for preparing polycarbonate by using eutectic solvent as catalyst 中国科学院过程工程研究所 2022-04-15 CN disclosed