SCHEMBL17655002

SCHEMBL17655002

Fc1cc(OC(F)(F)c2c(F)cc(-c3ccc(OCCCCC4CCCC4)cc3)cc2F)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HPGD P15428 3/20 0.38
PTGES O14684 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
NFE2L2 Q16236 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
S1PR4 O95977 1/20 0.33

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
SCHEMBL17655004 0.97 HRH3 (0.40) HTR1AHTR1DHTR1BHPGDPTGES
SCHEMBL17655003 0.93 NFE2L2 (0.44) HPGDHRH3NFE2L2FFAR1
SCHEMBL16982430 0.88 PARP10 (0.43) FFAR1FFAR4PARP10
SCHEMBL8767748 0.87 NFE2L2 (0.44) HTR1AHTR1DHTR1BHPGDPTGES
SCHEMBL17655006 0.87 PPARG (0.35) HTR1AHTR1DHTR1BHRH3TDP1
SCHEMBL17072363 0.87 PARP10 (0.45) FFAR1FFAR4PARP10
SCHEMBL17655005 0.86 MOGAT2 (0.36) HRH3
SCHEMBL16978487 0.83 F10 (0.32) FFAR4
SCHEMBL15581155 0.83 RARB (0.36) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17070199 0.82 F10 (0.32) FFAR4PARP10

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-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed