SCHEMBL7857342

SCHEMBL7857342

CCc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ACACB O00763 1/20 0.39
FFAR1 O14842 7/20 0.36
FFAR4 Q5NUL3 4/20 0.36
GRM5 P41594 2/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
LMNA P02545 1/20 0.35
DAO P14920 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
SCHEMBL7857636 0.92 FFAR1 (0.42) CYP2A6ACACBFFAR1FFAR4GRM5
SCHEMBL7851598 0.92 FFAR1 (0.42) CYP2A6ACACBFFAR1FFAR4GRM5
SCHEMBL7861109 0.88 FFAR1 (0.44) CYP2A6ACACBFFAR1FFAR4GRM5
SCHEMBL7859984 0.87 GRM5 (0.43) FFAR1FFAR4GRM5
SCHEMBL7851800 0.86 ACACB (0.41) ACACBFFAR1FFAR4
SCHEMBL12736435 0.85 CYP2A6 (0.45) CYP2A6ACACBFFAR1FFAR4GRM5
SCHEMBL31442843 0.84 GRM5 (0.44) FFAR1FFAR4GRM5
SCHEMBL7858788 0.84 FFAR1 (0.48) FFAR1FFAR4GRM5
SCHEMBL8039326 0.83 FFAR1 (0.34) ACACBFFAR1FFAR4GRM5DAO
SCHEMBL7858953 0.83 SKP2 (0.42) FFAR1FFAR4RARARARBRARG

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