SCHEMBL29601768

SCHEMBL29601768

OCCOc1c(OCCO)c(-c2ccc(-c3ccccc3)c3ccccc23)c2ccccc2c1-c1ccccc1

nearest known ligand 0.44

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
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PADI4 Q9UM07 1/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 2/20 0.36
MCHR1 Q99705 1/20 0.35
PDE4B Q07343 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
TACR2 P21452 1/20 0.34
TACR3 P29371 1/20 0.34
HTT P42858 2/20 0.33

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
SCHEMBL29601985 0.87 ALDH1A1 (0.37) ALDH1A1RECQLMEN1KMT2AGAA
SCHEMBL29183756 0.82 ALDH1A1 (0.50) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL29601565 0.81 HDAC4 (0.39) ALDH1A1RECQLIDO1CYP2D6GPR84
SCHEMBL29601305 0.81 CHRNB4 (0.41) ALDH1A1RECQLIDO1
SCHEMBL29601857 0.80 IDO1 (0.42) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL25240792 0.76 ALDH1A1 (0.50) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL28707126 0.75 IDO1 (0.50) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL18567988 0.75 MEN1 (0.38) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL31599158 0.74 ALDH1A1 (0.48) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL25276325 0.74 ALDH1A1 (0.48) ALDH1A1RECQLIDO1MEN1KMT2A

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-114375313-A Thermoplastic resin and optical member comprising the same 帝人株式会社 2022-04-19 CN disclosed