SCHEMBL7858792

SCHEMBL7858792

CCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)cc3F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.50
FFAR4 Q5NUL3 1/20 0.50
ACACB O00763 2/20 0.44
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
TRPA1 O75762 1/20 0.34
GRM5 P41594 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
SCHEMBL8978953 0.93 FFAR1 (0.47) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7857765 0.92 FFAR1 (0.47) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL7858754 0.90 FFAR1 (0.52) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7858552 0.90 FFAR1 (0.49) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL8978844 0.89 CYP2A6 (0.45) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7858784 0.88 FFAR1 (0.43) FFAR1FFAR4ACACBCYP2A6
SCHEMBL7858534 0.88 FFAR1 (0.50) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7861109 0.88 FFAR1 (0.44) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL7851461 0.88 FFAR1 (0.47) FFAR1FFAR4ACACB
SCHEMBL7858803 0.88 FFAR1 (0.47) FFAR1FFAR4ACACB

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