SCHEMBL27367665

SCHEMBL27367665

FC(F)(F)Oc1ccccc1C#Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.63
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APP P05067 1/20 0.44
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
RAB9A P51151 1/20 0.40
PTGES O14684 2/20 0.38

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
SCHEMBL28830544 0.80 MAPT (0.48) FFAR1MAPTNPC1MEN1ALDH1A1
SCHEMBL17974963 0.79 FFAR1 (0.47) FFAR1ALDH1A1PTGESRXRARXRB
SCHEMBL3839249 0.78 MAPT (0.59) FFAR1MAPTNPC1MEN1ALDH1A1
SCHEMBL4725495 0.77 FFAR1 (0.56) FFAR1ALDH1A1PTPN1PTPN11RXRA
SCHEMBL30601895 0.76 FFAR1 (0.43) FFAR1MAPTNPC1MEN1ALDH1A1
SCHEMBL8307304 0.75 FFAR1 (0.47) FFAR1ALDH1A1PTGESPTPN1PTPN11
SCHEMBL4292100 0.75 FFAR1 (0.42) FFAR1ALDH1A1KDM4ERXRARXRB
SCHEMBL403812 0.75 APP (0.50) FFAR1MAPTAPPPTPN1PTPN11
SCHEMBL96814 0.75 FFAR1 (0.46) FFAR1ALDH1A1KDM4ERXRARXRB
SCHEMBL18494372 0.75 MAPT (0.55) FFAR1MAPTNPC1MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1109008-C Liquid-crystal alkenyltolan deriv., liquid-crystal composition, and liquid-crystal display element CHISSO CORP (JP) 2003-05-21 CN disclosed
CN-1232442-A Liquid crystal alkenyltolane derivative, liquid crystal composition and liquid crystal display CHISSO CORP (JP) 1999-10-20 CN disclosed
CN-1051926-A ELECTROOPTIC LIQUID CRYSTAL SYSTEM MERCK PATENT GES MIT BESSCHRAN (DE) 1991-06-05 CN disclosed