SCHEMBL11260729

SCHEMBL11260729

O=S(=O)(O)c1c(OCCO)cccc1OCCO.[KH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 7/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 4/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MAPT P10636 2/20 0.34
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 4/20 0.33

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
SCHEMBL11261592 0.96 IDO1 (0.40) IDO1ALDH1A1RECQLHTTSMN1; SMN2
Potassium Ion SCHEMBL11260722 0.80 IDO1 (0.39) IDO1ALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL11261589 0.80 IDO1 (0.39) IDO1ALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL8702941 0.78 ALDH1A1 (0.44) IDO1ALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL11836191 0.77 TSHR (0.37) IDO1ALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL27943238 0.74 CYP2A6 (0.41) ALDH1A1HTTGAAMAPTLMNA
SCHEMBL8577171 0.74 CYP1A2 (0.33) ALDH1A1RECQLHTTSMN1; SMN2MAPT
SCHEMBL10352255 0.73 ALDH1A1 (0.48) IDO1ALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL8579261 0.73 CYP1A2 (0.36) ALDH1A1RECQLHTTSMN1; SMN2MAPT
SCHEMBL238824 0.73 ALDH1A1 (0.61) IDO1ALDH1A1RECQLHTTSMN1; SMN2

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-4336307-A MELT SPINNING WITH A ORGANIC ALKALI OR ALKALINE EARTH METAL SULFONATE PORE FORMING AGENT TEIJIN LIMITED (JP) 1982-06-22 US disclosed