SCHEMBL6913798

SCHEMBL6913798

Cc1ccc2c(C(=O)O)cccc2c1.[Cd]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.64
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
CYP1A2 P05177 1/20 0.53
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CDC25B P30305 3/20 0.47
CSNK2A1 P68400 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL344157 0.98 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL31522164 0.98 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6913302 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6916641 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6909826 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6913305 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6917255 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6913484 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6917252 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2
SCHEMBL6913480 0.96 PTPN1 (0.64) PTPN1NR4A1NR4A2NR4A3CYP1A2

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