SCHEMBL7858709

SCHEMBL7858709

CCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)c(F)c3)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.51
FFAR4 Q5NUL3 14/20 0.51
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.41
TYR P14679 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7859880 0.98 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7851776 0.98 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7851534 0.95 FFAR1 (0.52) FFAR1FFAR4TYRTSPODRD3
SCHEMBL7858620 0.95 FFAR1 (0.51) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7859823 0.94 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7851558 0.94 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7851579 0.94 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7858724 0.94 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7861780 0.94 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4
SCHEMBL7851448 0.94 FFAR1 (0.50) FFAR1FFAR4MEN1TP53CYP3A4

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