SCHEMBL6131021

SCHEMBL6131021

Cc1cc(C(=O)O)c(S(=O)(=O)O)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
CSNK2A1 P68400 1/20 0.45
METAP2 P50579 3/20 0.44
TTR P02766 1/20 0.43
TPMT P51580 1/20 0.43
CYP2D6 P10635 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
MYC P01106 1/20 0.40
CASP1 P29466 1/20 0.39

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
SCHEMBL3442549 0.98 KDM4E (0.47) KDM4ECSNK2A1METAP2TTRTPMT
SCHEMBL27304138 0.81 KDM4E (0.47) KDM4ECSNK2A1METAP2TTRTPMT
SCHEMBL2988901 0.80 LCK (0.56) KDM4ECYP2D6ALDH1A1HSD17B10LMNA
SCHEMBL29162781 0.80 LCK (0.56) KDM4ETTRTPMTCYP2D6CA1
SCHEMBL6563246 0.80 CYP2D6 (0.47) KDM4ECYP2D6CA1CA2ALDH1A1
SCHEMBL3442546 0.79 CA1 (0.38) KDM4EMETAP2TTRTPMTCA1
SCHEMBL411654 0.78 ALDH1A1 (0.44) KDM4ECSNK2A1CYP2D6CA1CA2
SCHEMBL28809636 0.78 CYP2D6 (0.42) KDM4ECYP2D6CA1CA2ALDH1A1
SCHEMBL2990424 0.78 LCK (0.54) KDM4ECYP2D6ALDH1A1HSD17B10LMNA
SCHEMBL29987732 0.78 KDM4E (0.44) KDM4ECSNK2A1CYP2D6ALDH1A1HSD17B10

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
CN-100482680-C excitatory amino acid prodrugs LILLY CO ELI (US) 2009-04-29 CN disclosed
CN-101084236-A excitatory amino acid prodrugs LILLY CO ELI (US) 2007-12-05 CN disclosed
CN-1989140-A Compounds containing a n-heteroaryl moiety linked to fused ring moieties for the inhibition of nad(p)h oxidases and platelet activation VASOPHARM BIOTECH GMBH (DE) 2007-06-27 CN disclosed
US-6927008-B2 Photosensitive transfer material FUJI PHOTO FILM CO., LTD. (JP) 2005-08-09 US disclosed
US-20040106061-A1 Photosensitive transfer material FUJI PHOTO FILM CO., LTD. 2004-06-03 US disclosed