SCHEMBL7858309

SCHEMBL7858309

CCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(OC(F)(F)F)cc3)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ACACB O00763 3/20 0.41
S1PR1 P21453 1/20 0.36
FAAH O00519 1/20 0.36
TSHR P16473 2/20 0.35
PCSK9 Q8NBP7 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL8436498 1.00 FFAR1 (0.43) FFAR1FFAR4ACACBS1PR1FAAH
SCHEMBL7857778 0.93 FFAR1 (0.44) FFAR1FFAR4ACACBFAAHTSHR
SCHEMBL3167602 0.91 FFAR1 (0.39) FFAR1FFAR4ACACBS1PR1FAAH
SCHEMBL3172522 0.87 FFAR1 (0.39) FFAR1FFAR4ACACBS1PR1TSHR
SCHEMBL7861593 0.86 FFAR1 (0.49) FFAR1FFAR4ACACBFAAHTSHR
SCHEMBL7858601 0.86 FFAR1 (0.51) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL8771479 0.86 ACACB (0.49) FFAR1ACACBFAAHTSHRTHRA
SCHEMBL7858814 0.85 FFAR1 (0.48) FFAR1FFAR4ACACBFAAHTSHR
SCHEMBL7858592 0.85 FFAR1 (0.48) FFAR1FFAR4ACACBFAAHTSHR
SCHEMBL7858590 0.85 FFAR1 (0.50) FFAR1FFAR4TSHRHSD17B10

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