SCHEMBL824498

SCHEMBL824498

CCCCCCCCCCCCCCCCCCOc1ccc(C2C(=O)Oc3ccc(-c4ccccc4)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
RARB P10826 3/20 0.44
LTA4H P09960 1/20 0.41
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.40
ALDH2 P05091 1/20 0.39
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
SIGMAR1 Q99720 1/20 0.39
GPR174 Q9BXC1 1/20 0.39

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
SCHEMBL3261989 0.84 LMNA (0.46) GAALTA4HLMNAGPR174
SCHEMBL13412705 0.84 NR5A1 (0.51) GAALTA4HLMNAALDH2
SCHEMBL8705954 0.80 ESR1 (0.47) GAALTA4HALDH2
SCHEMBL9319774 0.77 GAA (0.48) GAA
SCHEMBL383949 0.75 KCNA3 (0.52) GAALTA4HLMNAGPR174
SCHEMBL8325256 0.75 ALDH1A1 (0.46) GAALTA4H
SCHEMBL9153955 0.74 LTA4H (0.70) RARBLTA4HHDAC3HDAC4HDAC1
SCHEMBL9152810 0.74 LTA4H (0.70) RARBLTA4HHDAC3HDAC4HDAC1
SCHEMBL2779495 0.74 LTA4H (0.70) RARBLTA4HHDAC3HDAC4HDAC1
SCHEMBL9153960 0.74 LTA4H (0.70) RARBLTA4HHDAC3HDAC4HDAC1

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-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 US disclosed