SCHEMBL7858754

SCHEMBL7858754

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)cc3)cc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.52
FFAR4 Q5NUL3 1/20 0.52
ACACB O00763 5/20 0.41
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL7858552 0.94 FFAR1 (0.49) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7859826 0.94 FFAR1 (0.55) FFAR1FFAR4ACACBCNR1CNR2
SCHEMBL8979105 0.92 FFAR1 (0.45) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL8978842 0.92 FFAR1 (0.45) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7858534 0.91 FFAR1 (0.50) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7858585 0.91 FFAR1 (0.52) FFAR1FFAR4ACACB
SCHEMBL7858792 0.90 FFAR1 (0.50) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7861593 0.90 FFAR1 (0.49) FFAR1FFAR4ACACBCYP2A6
SCHEMBL7861607 0.89 FFAR1 (0.51) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL8979104 0.89 FFAR1 (0.40) FFAR1FFAR4ACACBCYP2A6TAAR1

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