SCHEMBL6516604

SCHEMBL6516604

C=C(C(=O)O)C(CC(=O)CC)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KIF11 P52732 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
CDC25B P30305 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6516619 0.84 CYP1A1 (0.40) ACP3ALDH1A1TDP1KCNJ11KMT2A
SCHEMBL6524358 0.83 ACP3 (0.46) ACP3ALDH1A1KDM4EHSD17B10KIF11
SCHEMBL6520788 0.81 KMT2A (0.40) ACP3ALDH1A1KDM4EKCNJ11MEN1
SCHEMBL6520280 0.80 TDP1 (0.39) ACP3ALDH1A1KDM4EHSD17B10KIF11
SCHEMBL6516686 0.78 L3MBTL1 (0.40) ACP3ALDH1A1KDM4EHSD17B10PPARG
SCHEMBL6515918 0.77 ACP3 (0.36) ACP3ALDH1A1KDM4EHSD17B10PPARG
SCHEMBL6518899 0.76 TDP1 (0.39) ACP3ALDH1A1KDM4EHSD17B10TDP1
SCHEMBL6522226 0.75 MEN1 (0.39) ACP3ALDH1A1KDM4EHSD17B10PPARG
SCHEMBL6525851 0.71 CYP2C19 (0.37) ALDH1A1L3MBTL1HPGDCYP2C19
SCHEMBL6518022 0.70 PTPN1 (0.47) ALDH1A1KDM4EHSD17B10CDC25BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed