SCHEMBL7746835

SCHEMBL7746835

O=S(=O)(O)CCC1Nc2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
HSD17B10 Q99714 5/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 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
Sulfuric Acid SCHEMBL9171022 0.79 IDO1 (0.43) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL5198966 0.76 HSD17B10 (0.47) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL10738044 0.75 IDO1 (0.48) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL31403242 0.74 IDO1 (0.55) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL25288630 0.72 HSD17B10 (0.56) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL20182754 0.72 IDO1 (0.46) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL1556866 0.71 IDO1 (0.48) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL395007 0.71 IDO1 (0.44) IDO1HSD17B10GLARAB9AGAA
SCHEMBL5437237 0.71 IDO1 (0.52) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL16623324 0.70 IDO1 (0.47) IDO1HSD17B10GLARAB9AKDM4E

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
WO-2001021748-A1 DETERGENT COMPOSITIONS COMPRISING PHENOL OXIDIZING ENZYMES UNILEVER N.V. (NL) 2001-03-29 WO disclosed