SCHEMBL7861809

SCHEMBL7861809

CCCCc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.49
FFAR4 Q5NUL3 1/20 0.49
SKP2 Q13309 1/20 0.40
ACACB O00763 2/20 0.39
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
KCNH2 Q12809 2/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL7859893 0.96 FFAR1 (0.48) FFAR1FFAR4SKP2ACACBIGF1R
SCHEMBL7851520 0.94 FFAR1 (0.47) FFAR1FFAR4ACACBIGF1RALOX15
SCHEMBL7859888 0.94 FFAR1 (0.47) FFAR1FFAR4ACACBIGF1RALOX15
SCHEMBL8979168 0.93 FFAR1 (0.42) FFAR1FFAR4SKP2ACACBIGF1R
SCHEMBL8978877 0.93 FFAR1 (0.42) FFAR1FFAR4SKP2ACACBIGF1R
SCHEMBL7858579 0.93 FFAR1 (0.52) FFAR1FFAR4SKP2ACACBHPGD
SCHEMBL7851532 0.91 FFAR1 (0.45) FFAR1FFAR4SKP2ACACBNPC1
SCHEMBL7861607 0.91 FFAR1 (0.51) FFAR1FFAR4ACACBKCNH2
SCHEMBL7859808 0.90 FFAR1 (0.50) FFAR1FFAR4SKP2ACACBPTPN11
SCHEMBL7858534 0.90 FFAR1 (0.50) FFAR1FFAR4SKP2ACACBPTPN11

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-6168728-B1 OPTICS WITH HIGH ANISOTROPIC VALUE CHISSO CORPORATION (JP) 2001-01-02 US disclosed
EP-0968988-A1 ACETYLENE DERIVATIVES, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING THE SAME CHISSO CORPORATION (JP) 2000-01-05 EP disclosed