SCHEMBL8375859

SCHEMBL8375859

O=C(O)c1cc(CCO)c(CCO)c(S(=O)(=O)O)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
PTPN1 P18031 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
TDP1 Q9NUW8 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 0.88 CYP2D6 (0.33) CYP2D6PTPN1ALDH1A1HSD17B10KDM4E
SCHEMBL6934117 0.87 CYP2D6 (0.33) CYP2D6PTPN1ALDH1A1HSD17B10KDM4E
SCHEMBL11744819 0.79 PPARA (0.44) PTPN1HSD17B10KDM4E
SCHEMBL11161201 0.78 PPARA (0.43) PTPN1HSD17B10KDM4E
SCHEMBL28454997 0.74 HSD17B10 (0.41) PTPN1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL28380141 0.74 CYP2D6 (0.35) CYP2D6HSD17B10KDM4E
SCHEMBL3912731 0.74
SCHEMBL1073390 0.72 ALDH1A1 (0.38) CYP2D6ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL28560537 0.70 HSD17B10 (0.47) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL23043923 0.70 PTPN1 (0.42) PTPN1ALDH1A1HSD17B10KDM4EHPGD

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-5876833-A Magnetic recording medium containing magnetic powder and a polyurethane binder having a specified radius of gyration FUJI PHOTO FILM CO., LTD. (JP) 1999-03-02 US disclosed