SCHEMBL7861686

SCHEMBL7861686

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(F)c(F)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.43
GRM5 P41594 1/20 0.42
FFAR1 O14842 8/20 0.40
FFAR4 Q5NUL3 2/20 0.39
PLAU P00749 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL12736440 1.00 ACACB (0.43) ACACBGRM5FFAR1FFAR4PLAU
SCHEMBL9512422 0.95 HSD17B10 (0.41) ACACBGRM5FFAR1FFAR4NPC1
SCHEMBL14525802 0.88 HSD17B10 (0.47) FFAR1FFAR4TP53HSD17B10
SCHEMBL8080953 0.87 ASIC3 (0.43) ACACBGRM5FFAR1FFAR4PLAU
SCHEMBL7851800 0.86 ACACB (0.41) ACACBFFAR1FFAR4
SCHEMBL8978916 0.86 FFAR1 (0.48) ACACBFFAR1FFAR4
SCHEMBL7858662 0.86 FFAR1 (0.50) ACACBFFAR1FFAR4
SCHEMBL14526083 0.86 ACACB (0.43) ACACBFFAR1FFAR4
SCHEMBL14526080 0.85 FFAR1 (0.48) ACACBGRM5FFAR1FFAR4NPC1
SCHEMBL9510206 0.85 TSHR (0.49) GRM5HSD17B10

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