SCHEMBL29601839

SCHEMBL29601839

OCCOc1cc(-c2ccc3ccccc3c2)c2cc(-c3ccc4ccccc4c3)ccc2c1-c1c(OCCO)cc(-c2ccc3ccccc3c2)c2cc(-c3ccc4ccccc4c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
IDO1 P14902 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GSTP1 P09211 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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 1.00 ALOX5 (0.41) ALOX5IDO1HDAC4HDAC2HDAC8
SCHEMBL27113965 0.93 IDO1 (0.47) ALOX5IDO1HDAC4HDAC2HDAC8
SCHEMBL29601472 0.87 ALDH1A1 (0.44) ALOX5IDO1GSTP1ALDH1A1RECQL
SCHEMBL26354302 0.85 GSTP1 (0.46) ALOX5IDO1HDAC4HDAC2HDAC8
SCHEMBL25024729 0.84 GSTP1 (0.47) ALOX5IDO1HDAC4HDAC2HDAC8
SCHEMBL27113964 0.83 IDO1 (0.48) ALOX5IDO1HDAC4HDAC2HDAC8
SCHEMBL30675906 0.82 IDO1 (0.49) ALOX5IDO1HDAC4HDAC2HDAC8
SCHEMBL29601890 0.82 IDO1 (0.49) ALOX5IDO1ESR1ESR2ALDH1A1
SCHEMBL20774078 0.82 IDO1 (0.49) ALOX5IDO1ESR1ESR2ALDH1A1
SCHEMBL30634843 0.82 IDO1 (0.49) ALOX5IDO1ESR1ESR2ALDH1A1

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