SCHEMBL7861605

SCHEMBL7861605

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(OC)cc3F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
ACACB O00763 8/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
APP P05067 2/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL16429660 1.00 FFAR1 (0.43) FFAR1ACACBFFAR4TAAR1APP
SCHEMBL7859826 0.85 FFAR1 (0.55) FFAR1ACACBFFAR4
SCHEMBL8978916 0.85 FFAR1 (0.48) FFAR1ACACBFFAR4
SCHEMBL8587602 0.85 ACACB (0.47) FFAR1ACACBFFAR4
SCHEMBL7858552 0.82 FFAR1 (0.49) FFAR1ACACBFFAR4TAAR1
SCHEMBL7858585 0.82 FFAR1 (0.52) FFAR1ACACBFFAR4
SCHEMBL9421483 0.82 FFAR1 (0.46) FFAR1ACACBFFAR4TAAR1
SCHEMBL18310400 0.82 FFAR1 (0.47) FFAR1ACACBFFAR4
SCHEMBL8978893 0.82 FFAR1 (0.43) FFAR1ACACBFFAR4
SCHEMBL7511210 0.82 APP (0.55) FFAR1ACACBTAAR1APPMAOB

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