SCHEMBL6914715

SCHEMBL6914715

Cc1cccc2ccc(C(=O)O)cc12.[Cd]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 2/20 0.53
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM2B Q8NHM5 4/20 0.47
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2C Q14957 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
SLC22A12 Q96S37 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL3392440 0.98 PLA2G2D (0.55) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6909998 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6913196 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6913198 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6916107 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6915863 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6915625 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6916112 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6915628 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1
SCHEMBL6916929 0.96 PLA2G2D (0.54) PLA2G2DCYP1A2CYP2A6PTPN1ALDH1A1

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed