SCHEMBL7858735

SCHEMBL7858735

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.49
FFAR4 Q5NUL3 11/20 0.49
CYP2A6 P11509 1/20 0.42
ACACB O00763 1/20 0.42
EGLN1 Q9GZT9 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
SCHEMBL8005146 0.93 FFAR1 (0.54) FFAR1FFAR4
SCHEMBL7851527 0.92 FFAR1 (0.45) FFAR1FFAR4CYP2A6ACACB
SCHEMBL7858570 0.92 FFAR1 (0.45) FFAR1FFAR4CYP2A6ACACB
SCHEMBL7858545 0.88 FFAR1 (0.49) FFAR1FFAR4ACACB
SCHEMBL7857704 0.88 FFAR1 (0.49) FFAR1FFAR4CYP2A6
SCHEMBL7851461 0.88 FFAR1 (0.47) FFAR1FFAR4ACACB
SCHEMBL7857730 0.86 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL7851724 0.85 FFAR1 (0.47) FFAR1FFAR4
SCHEMBL7857653 0.85 FFAR1 (0.47) FFAR1FFAR4CYP2A6
SCHEMBL12736435 0.85 CYP2A6 (0.45) FFAR1FFAR4CYP2A6ACACBEGLN1

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