SCHEMBL6552825

SCHEMBL6552825

C=COC(=O)c1ccccc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 4/20 0.35
STS P08842 1/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL29197935 0.82 CYP3A4 (0.50) CYP3A4ALDH1A1LMNANPC1HSD17B10
SCHEMBL28652912 0.81 CYP3A4 (0.62) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12814218 0.80 PTGDR2 (0.48) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1793340 0.80 KDM4E (0.54) PTGDR2KMT2AMEN1KDM4ESTS
SCHEMBL1898012 0.79 PDE10A (0.38) SLC6A3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3159695 0.78 MMP9 (0.50) PTGDR2KMT2AMEN1NPC1RAB9A
SCHEMBL11642795 0.78 PTGDR2 (0.45) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7598114 0.78 KDM4E (0.55) PTGDR2KMT2AMEN1KDM4EALDH1A1
SCHEMBL1901843 0.77 KDM4E (0.39) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL1788443 0.77 HSD17B10 (0.51) PTGDR2SLC6A2SLC6A3KMT2AMEN1

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
EP-1048457-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2004-12-15 EP disclosed
US-6455224-B1 SUPPORT WITH HYDROPHILIC SURFACE AND PHOTOSENSITIVE LAYER CONTAINING INFRARED ABSORBENT WHICH CHANGES FROM HYDROPHILIC TO HYDROPHOBIC BY HEAT AND HYDROPHILIC POLYMER HAVING FUNCTIONAL GROUP RENDERING LAYER WATER DEVELOPABLE FUJI PHOTO FILM CO., LTD. (JP) 2002-09-24 US disclosed
EP-1048457-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-11-02 EP disclosed