SCHEMBL4579718

SCHEMBL4579718

FC#Cc1ccccc1C#CF

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL16457122 0.83 GRM5 (0.43)
SCHEMBL17288705 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1NPC1CYP1A2
SCHEMBL16879209 0.81 TSHR (0.52) ALDH1A1CYP3A4TSHR
SCHEMBL17288704 0.81
SCHEMBL29031247 0.75 CA1 (0.50) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL13471396 0.67 ALDH1A1 (0.33) APPALDH1A1KDM4EMEN1NPC1
SCHEMBL13471399 0.67 APP (0.35) APPALDH1A1KDM4EMEN1NPC1
SCHEMBL6364807 0.67 CYP1A2 (0.46) APPALDH1A1KDM4EMEN1NPC1
SCHEMBL30486188 0.65 TSHR (0.48) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL5871989 0.65 APP (0.75) APPALDH1A1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP disclosed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
EP-1586569-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 2005-10-19 EP disclosed
US-20050215820-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. 2005-09-29 US disclosed
US-5725797-A Silacyclohexane compound, a process for producing the same, and a liquid crystal composition comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-10 US disclosed