SCHEMBL7861625

SCHEMBL7861625

CCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCC)cc3)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.50
FFAR4 Q5NUL3 2/20 0.50
ACACB O00763 3/20 0.39
PTPN11 Q06124 1/20 0.38
PTPRO Q16827 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SKP2 Q13309 1/20 0.37
HTR2A P28223 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35

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
SCHEMBL7859808 1.00 FFAR1 (0.50) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7858579 0.97 FFAR1 (0.52) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7861584 0.96 FFAR1 (0.49) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7858553 0.96 FFAR1 (0.49) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7859820 0.94 FFAR1 (0.48) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL9417587 0.94 FFAR1 (0.48) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7858747 0.94 FFAR1 (0.48) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7861630 0.94 FFAR1 (0.48) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7861577 0.94 FFAR1 (0.48) FFAR1FFAR4ACACBPTPN11PTPRO
SCHEMBL7861770 0.94 FFAR1 (0.50) FFAR1FFAR4ACACBPTPN11PTPRO

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