SCHEMBL25281184

SCHEMBL25281184

OCCOc1c2ccccc2c(-c2c3ccccc3c(OCCO)c3cc4ccccc4cc23)c2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
NMUR2 Q9GZQ4 1/20 0.33
MCHR1 Q99705 1/20 0.33
KCNA3 P22001 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.32

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
SCHEMBL25240792 0.88 ALDH1A1 (0.50) ALDH1A1RECQLIDO1GAAHTR1D
SCHEMBL29565866 0.82 ALDH1A1 (0.56) ALDH1A1RECQLIDO1GAAHTR1D
SCHEMBL755890 0.82 ALDH1A1 (0.56) ALDH1A1RECQLIDO1GAAHTR1D
SCHEMBL5115767 0.80 ALDH1A1 (0.47) ALDH1A1RECQLIDO1GAAHTR1D
SCHEMBL29183756 0.79 ALDH1A1 (0.50) ALDH1A1RECQLIDO1GAAMEN1
SCHEMBL31599158 0.78 ALDH1A1 (0.48) ALDH1A1RECQLIDO1GAAHTR1D
SCHEMBL25276325 0.78 ALDH1A1 (0.48) ALDH1A1RECQLIDO1GAAHTR1D
SCHEMBL23271780 0.75 EPHX2 (0.47) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL30004176 0.75 EPHX2 (0.47) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL31443142 0.74 IDO1 (0.45) ALDH1A1RECQLIDO1GAAHTR1D

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
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed