SCHEMBL29601472

SCHEMBL29601472

OCCOc1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2c1-c1c(OCCO)cc(-c2ccccc2)c2cc(-c3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
SLC6A9 P48067 3/20 0.42
IDO1 P14902 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
CHEK1 O14757 1/20 0.38
EGFR P00533 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
GSTP1 P09211 1/20 0.37
GAA P10253 2/20 0.37
ALOX5 P09917 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL22914965 0.87 ALOX5 (0.41) ALDH1A1RECQLIDO1GSTP1ALOX5
SCHEMBL29601839 0.87 ALOX5 (0.41) ALDH1A1RECQLIDO1GSTP1ALOX5
SCHEMBL22187726 0.80 ALDH1A1 (0.46) ALDH1A1RECQLSLC6A9IDO1MEN1
SCHEMBL29506865 0.80 ALDH1A1 (0.46) ALDH1A1RECQLSLC6A9IDO1MEN1
SCHEMBL14981133 0.80 ACACA (0.46) ALDH1A1KMT2AGAAMGAMSI
SCHEMBL20774057 0.79 ESR1 (0.50) ALDH1A1RECQLSLC6A9IDO1CHEK1
SCHEMBL29506872 0.79 ESR1 (0.50) ALDH1A1RECQLSLC6A9IDO1CHEK1
SCHEMBL29895961 0.79 ESR1 (0.50) ALDH1A1RECQLSLC6A9IDO1CHEK1
SCHEMBL27113965 0.79 IDO1 (0.47) ALDH1A1RECQLIDO1GSTP1ALOX5
SCHEMBL29601985 0.77 ALDH1A1 (0.37) ALDH1A1RECQLSLC6A9MEN1KMT2A

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