SCHEMBL7858765

SCHEMBL7858765

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)cc3)c(F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.44
FFAR4 Q5NUL3 15/20 0.44
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL7861610 1.00 FFAR1 (0.44) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7858696 0.96 FFAR1 (0.44) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7858562 0.93 FFAR1 (0.45) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7858743 0.93 FFAR1 (0.45) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7857704 0.93 FFAR1 (0.49) FFAR1FFAR4TSPODRD3
SCHEMBL7857694 0.92 FFAR1 (0.42) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7859895 0.92 FFAR1 (0.42) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7858739 0.92 FFAR1 (0.48) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7850776 0.91 FFAR1 (0.49) FFAR1FFAR4TSPODRD3
SCHEMBL7857722 0.91 FFAR1 (0.41) FFAR1FFAR4TSPODRD3ACACB

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