SCHEMBL7858602

SCHEMBL7858602

CCCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCC)c(F)c3)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.48
FFAR4 Q5NUL3 11/20 0.48
TYR P14679 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX5 P09917 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LIPG Q9Y5X9 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
SCHEMBL7851466 1.00 FFAR1 (0.48) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7851589 0.98 FFAR1 (0.49) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7851579 0.97 FFAR1 (0.50) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7861780 0.97 FFAR1 (0.50) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7851448 0.97 FFAR1 (0.50) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7859823 0.97 FFAR1 (0.50) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7858724 0.97 FFAR1 (0.50) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7858964 0.95 FFAR1 (0.49) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7857623 0.95 FFAR1 (0.49) FFAR1FFAR4TYRMEN1TP53
SCHEMBL7858620 0.95 FFAR1 (0.51) FFAR1FFAR4TYRMEN1TP53

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