SCHEMBL8587602

SCHEMBL8587602

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(OCC)cc3)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.47
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL8978916 0.90 FFAR1 (0.48) ACACBFFAR1FFAR4
SCHEMBL7858585 0.87 FFAR1 (0.52) ACACBFFAR1FFAR4
SCHEMBL7858562 0.86 FFAR1 (0.45) ACACBFFAR1FFAR4
SCHEMBL7858743 0.86 FFAR1 (0.45) ACACBFFAR1FFAR4
SCHEMBL8978842 0.86 FFAR1 (0.45) ACACBFFAR1FFAR4
SCHEMBL8979105 0.86 FFAR1 (0.45) ACACBFFAR1FFAR4
SCHEMBL16429660 0.85 FFAR1 (0.43) ACACBFFAR1FFAR4
SCHEMBL7861605 0.85 FFAR1 (0.43) ACACBFFAR1FFAR4
SCHEMBL8978912 0.85 FFAR1 (0.44) ACACBFFAR1FFAR4
SCHEMBL8979020 0.85 FFAR1 (0.44) ACACBFFAR1FFAR4

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
JP-10130188-A None JP disclosed
JP-H10130188-A TOLAN DERIVATIVE COMPOUND AND ITS USE SEIMI CHEM CO LTD 1998-05-19 JP disclosed