SCHEMBL21433765

SCHEMBL21433765

OCCOc1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.43
HTR1D P28221 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
IDO1 P14902 1/20 0.41
KCNA3 P22001 1/20 0.41
ERBB2 P04626 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 4/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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 0.87 HTR1B (0.51) HTR1BHTR1DALDH1A1RECQLIDO1
SCHEMBL28913618 0.85 HTR1B (0.50) HTR1BHTR1DALDH1A1RECQLIDO1
SCHEMBL25236959 0.82 IDO1 (0.49) HTR1BHTR1DALDH1A1RECQLIDO1
SCHEMBL8573695 0.81 CYP1A2 (0.47) HTR1BALDH1A1CYP1A2KDM4EMEN1
SCHEMBL7524728 0.81 CYP1A2 (0.47) HTR1BALDH1A1CYP1A2KDM4EMEN1
SCHEMBL25667043 0.81 IDO1 (0.47) HTR1BHTR1DALDH1A1RECQLIDO1
SCHEMBL28913617 0.80 HTR1B (0.46) HTR1BHTR1DALDH1A1IDO1KCNA3
Ethylene Glycol SCHEMBL7617462 0.80 TTR (0.40) ALDH1A1KCNA3ERBB2CYP1A2FYN
SCHEMBL31443155 0.79 HTR1B (0.48) HTR1BHTR1DALDH1A1RECQLIDO1
SCHEMBL28859138 0.79 HTR1B (0.53) HTR1BHTR1DALDH1A1IDO1KCNA3

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
US-10738146-B2 Process for frontal polymerization of cationically polymerizable monomers TECHNISCHE UNIVERSITAET WIEN (AT) 2020-08-11 US disclosed
US-20190309123-A1 PROCESS FOR FRONTAL POLYMERIZATION OF CATIONICALLY POLYMERIZABLE MONOMERS TECHNISCHE UNIVERSITAET WIEN (AT) 2019-10-10 US disclosed