SCHEMBL4577655

SCHEMBL4577655

O=C(O)c1ccc(C#Cc2cccc(F)c2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.54
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
GRM5 P41594 3/20 0.49
PTPRC P08575 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN9 P43378 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN11 Q06124 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
HAO1 Q9UJM8 2/20 0.48
IKBKB O14920 1/20 0.45
DCLRE1B Q9H816 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL27178358 0.88 HNF4A (0.62) HNF4APTPRCPTPN11
SCHEMBL14252110 0.84 HNF4A (0.54) HNF4AGRM5HAO1
SCHEMBL542005 0.84 HNF4A (0.73) HNF4AGRM5PTPN11
SCHEMBL20503723 0.84 HNF4A (0.60) HNF4ACA12CA2CA9CA1
SCHEMBL21679889 0.84 HNF4A (0.60) HNF4ACA12CA2CA9CA1
SCHEMBL27178395 0.82 HNF4A (0.63) HNF4ACA12CA2CA9CA1
SCHEMBL3640785 0.81 CA12 (0.55) HNF4ACA12CA2CA9CA1
SCHEMBL4578158 0.81 CA12 (0.51) CA12CA2CA9CA1GRM5
SCHEMBL28788080 0.81 CA12 (0.55) HNF4ACA12CA2CA9CA1
SCHEMBL9885470 0.80 PTPN1 (0.59) HNF4AGRM5PTPRCPTPN2PTPN1

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
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