SCHEMBL17833873

SCHEMBL17833873

CCC(C)(C)C(=O)OC(CC(C)(C)C)OCCOc1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.36
KDM4E B2RXH2 12/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.32
RIPK1 Q13546 1/20 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
SCHEMBL16590994 0.91 KDM4E (0.38) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL16998987 0.85 KDM4E (0.41) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL16590992 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL16590996 0.84 PPARG (0.34) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL14827290 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL17833874 0.76 PPARA (0.40) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL17898448 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL16746676 0.74 KDM4E (0.40) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL16591031 0.74 PPARA (0.43) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL6742351 0.73 BACE1 (0.43) ALDH1A1KDM4ESMN1; SMN2TDP1PPARG

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-9746771-B2 Laminate body FUJIFILM CORPORATION (JP) 2017-08-29 US disclosed
US-20160170303-A1 LAMINATE BODY FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed