SCHEMBL6934117

SCHEMBL6934117

O=C(O)c1cc(CCO)c(CCO)c(C(=O)O)c1S(=O)(=O)O.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1073391 0.98 CYP2D6 (0.33) CYP2D6PTPN1KDM4EALDH1A1HPGD
SCHEMBL8375859 0.87 CYP2D6 (0.33) CYP2D6PTPN1KDM4EALDH1A1HPGD
SCHEMBL11577568 0.82 GABRP (0.41) PTPN1
SCHEMBL3912731 0.78
SCHEMBL28454997 0.73 HSD17B10 (0.41) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9280152 0.72 CYP2D6 (0.35) CYP2D6KDM4EHSD17B10
SCHEMBL483850 0.71
SCHEMBL1073390 0.71 ALDH1A1 (0.38) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL33516 0.69 PTPN1 (0.39) PTPN1KDM4EALDH1A1HSD17B10
SCHEMBL28560537 0.69 HSD17B10 (0.47) KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653000-B2 Layer of a granular substance such as carbon black dispersed in a binder, also comprising an azo dye-containing compound with amide and amine groups; for recording digital data FUJI PHOTO FILM CO., LTD. (JP) 2003-11-25 US disclosed
US-20020064687-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2002-05-30 US disclosed