SCHEMBL17898351

SCHEMBL17898351

CCC1CCC(CCCCOc2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HPGD P15428 1/20 0.32
MAOB P27338 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL17898353 0.95 HRH3 (0.36) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL17897396 0.93 HTR2A (0.37) HRH3HPGDCHRM2CHRM4CHRM5
SCHEMBL17897395 0.93 CHRM2 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17898349 0.91 HRH3 (0.34) HRH3HPGDMAOBHRH2HRH1
SCHEMBL17898350 0.90 HPGD (0.35) HRH3HPGDMAOBHRH2HRH1
SCHEMBL17898352 0.90 HPGD (0.41) HRH3HPGD
SCHEMBL17084295 0.88 RARB (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17084292 0.88 RARB (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17084299 0.88 RARB (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17897362 0.86 CHRM2 (0.37) FFAR4CHRM2CHRM4CHRM5CHRM1

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
US-20160194561-A1 DIFLUOROPHENYL LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2016-07-07 US disclosed