SCHEMBL28913617

SCHEMBL28913617

OCCOc1cccc2cc3ccccc3c(-c3c4ccccc4cc4ccccc34)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.46
HTR1D P28221 2/20 0.46
IDO1 P14902 1/20 0.44
CES1 P23141 1/20 0.43
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNA3 P22001 1/20 0.40
ALOX5 P09917 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CYP1A2 P05177 2/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 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
SCHEMBL21433765 0.80 HTR1B (0.43) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL27554043 0.79 HTR1B (0.51) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL31443155 0.78 HTR1B (0.48) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL28913618 0.78 HTR1B (0.50) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL28852561 0.77 HTR1B (0.50) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL1023529 0.77 HTR1B (0.70) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL29351066 0.75 HTR1B (0.43) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL11331409 0.75 HTR1B (0.43) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL5161287 0.75 HTR1B (0.68) HTR1BHTR1DIDO1KDM4EMEN1
SCHEMBL5161278 0.75 HTR1B (0.68) HTR1BHTR1DIDO1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461388-A Thermoplastic resin and optical component 帝人株式会社 2022-12-09 CN disclosed