SCHEMBL7857751

SCHEMBL7857751

CCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCC)cc3)cc2F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.40
FFAR4 Q5NUL3 11/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
TSPO P30536 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL7851737 1.00 FFAR1 (0.40) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7857803 1.00 FFAR1 (0.40) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7858741 1.00 FFAR1 (0.40) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7858990 0.99 FFAR1 (0.41) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7857651 0.99 FFAR1 (0.41) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7851703 0.96 FFAR1 (0.43) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7857735 0.96 FFAR1 (0.43) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7857754 0.96 HSD17B10 (0.43) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7861709 0.96 HSD17B10 (0.43) FFAR1FFAR4TSHRHSD17B10HTR2A
SCHEMBL7858767 0.96 HSD17B10 (0.43) FFAR1FFAR4TSHRHSD17B10HTR2A

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