SCHEMBL4576984

SCHEMBL4576984

C#Cc1c(-c2ccccc2)ccc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
GABRA1 P14867 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA3 P34903 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
PRKCZ Q05513 1/20 0.46
GABRA5 P31644 2/20 0.45
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 1/20 0.43
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 2/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL4578589 0.82 TSHR (0.47) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL28548807 0.82 SLC6A3 (0.48) HTTGABRA1GABRG2GABRB3GABRA3
SCHEMBL11152302 0.82 HTT (0.54) HTTGABRA1GABRG2GABRB3GABRA3
SCHEMBL3686832 0.79 LMNA (0.53) HTTGABRA1GABRG2GABRB3GABRA3
SCHEMBL4528195 0.77 FOLH1 (0.44) MEN1KMT2AALDH1A1KDM4E
SCHEMBL4576988 0.77 HTT (0.47) HTTGABRA1GABRG2GABRB3GABRA3
SCHEMBL13228930 0.76 HTT (0.62) HTTGABRA1GABRG2GABRB3GABRA3
SCHEMBL69682 0.75 SLC6A3 (0.57) HTTGABRA1GABRG2GABRB3GABRA3
SCHEMBL27518863 0.75 PTPN22 (0.45) ALDH1A1MAPTHSD17B10
SCHEMBL5700615 0.73 SLC6A3 (0.72) HTTGABRA1GABRG2GABRB3GABRA3

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 4 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