SCHEMBL13296232

SCHEMBL13296232

C=C(C)C(=O)OC(CC)C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.36
USP5 P45974 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
IDO1 P14902 2/20 0.34
SLC18A3 Q16572 1/20 0.33
DPP4 P27487 3/20 0.32
USP30 Q70CQ3 1/20 0.32
DPP7 Q9UHL4 2/20 0.32
ADRA1A P35348 3/20 0.32
DRD2 P14416 2/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30

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
SCHEMBL13296343 0.85 USP5 (0.35) HCRTR2USP5HDAC6IDO1SLC18A3
SCHEMBL13348378 0.81 TSHR (0.34)
SCHEMBL13289598 0.79 HCRTR2 (0.40) HCRTR2USP5HDAC6USP30ADRA1A
SCHEMBL13289860 0.75 HCRTR2 (0.36) HCRTR2USP5HDAC6USP30ADRA1A
SCHEMBL18458837 0.74 DPP4 (0.40) USP5HDAC6DPP4DPP7DPP8
SCHEMBL10030747 0.74 THRB (0.31)
SCHEMBL20160836 0.74 DPP4 (0.40) USP5HDAC6DPP4DPP7DPP8
SCHEMBL13289865 0.74 TDP1 (0.38) HCRTR2USP5HDAC6USP30ADRA1A
SCHEMBL10074039 0.73 TLR4 (0.39)
SCHEMBL13369368 0.71 GRIA4 (0.38) HCRTR2USP5HDAC6USP30

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-20100151154-A1 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film CHISSO CORPORATION 2010-06-17 US disclosed
US-20100143612-A1 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film CHISSO CORPORATION 2010-06-10 US disclosed