SCHEMBL7861586

SCHEMBL7861586

CCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCC)cc3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.44
FFAR4 Q5NUL3 14/20 0.44
S1PR1 P21453 1/20 0.38
TSPO P30536 1/20 0.36
DRD3 P35462 1/20 0.36
ACACB O00763 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7851703 0.99 FFAR1 (0.43) FFAR1FFAR4S1PR1TSPODRD3
SCHEMBL7857735 0.99 FFAR1 (0.43) FFAR1FFAR4S1PR1TSPODRD3
SCHEMBL7858611 0.96 FFAR1 (0.45) FFAR1FFAR4S1PR1TSPODRD3
SCHEMBL7858990 0.96 FFAR1 (0.41) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7859940 0.96 FFAR1 (0.45) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7857651 0.96 FFAR1 (0.41) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7858701 0.95 FFAR1 (0.44) FFAR1FFAR4S1PR1TSPODRD3
SCHEMBL7851737 0.95 FFAR1 (0.40) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7857751 0.95 FFAR1 (0.40) FFAR1FFAR4TSPODRD3ACACB
SCHEMBL7858741 0.95 FFAR1 (0.40) FFAR1FFAR4TSPODRD3ACACB

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