SCHEMBL28913618

SCHEMBL28913618

OCCOc1cccc2cc3cc4ccccc4cc3cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.50
HTR1D P28221 2/20 0.50
IDO1 P14902 1/20 0.49
KCNA3 P22001 2/20 0.47
ALDH1A1 P00352 4/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A4 P31645 2/20 0.41
HRH1 P35367 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27554043 0.98 HTR1B (0.51) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL28913779 0.91 KDM4E (0.52) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL28859138 0.90 HTR1B (0.53) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL21433765 0.85 HTR1B (0.43) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL25667043 0.85 IDO1 (0.47) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL25236959 0.83 IDO1 (0.49) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL1023529 0.82 HTR1B (0.70) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL29584474 0.81 KCNA3 (0.50) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL2047083 0.81 KCNA3 (0.50) HTR1BHTR1DIDO1KCNA3ALDH1A1
SCHEMBL10345996 0.81 KCNA3 (0.50) HTR1BHTR1DIDO1KCNA3ALDH1A1

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