SCHEMBL8439787

SCHEMBL8439787

CCC(Nc1cc(Cl)c(O)c(Cl)c1)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.38
HSD17B10 Q99714 3/20 0.35
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
DHODH Q02127 1/20 0.34
ACLY P53396 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
ESR1 P03372 1/20 0.33
TTR P02766 3/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL8440991 0.82 TDP1 (0.35) HTTESR1TTRMEN1KMT2A
SCHEMBL8435611 0.81 ACP1 (0.36) HSD17B10ALOX15ALDH1A1CYP2C9ALOX12
SCHEMBL1823997 0.78 HTT (0.46) GAAHTTCYP1A2CYP3A4POLB
SCHEMBL1012824 0.74 KMT2A (0.46) ALDH1A1GAAHTTCYP1A2CYP2C9
SCHEMBL1009042 0.73 TDP1 (0.42) HSD17B10ALOX15ALDH1A1GAAPKM
SCHEMBL4614536 0.71 LMNA (0.34) MEP1BHSD17B10ALDH1A1HTTACLY
SCHEMBL27617207 0.70 GAA (0.46) HSD17B10ALOX15ALDH1A1GAAHTT
SCHEMBL9551532 0.69 GAA (0.45) HSD17B10ALOX15ALDH1A1GAAHTT
SCHEMBL3381681 0.68
SCHEMBL28075781 0.67 ALDH1A1 (0.67) HSD17B10ALOX15ALDH1A1GAAHTT

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-5858695-A SUBJECTING BILIRUBIN TO COEXIST WITH ASCORBATE OXIDASE AND A REACTION PROMOTER IN AQUEOUS MEDIUM TO THEREBY OXIDIZE THE BILIRUBIN, MEASURING THE CHANGE IN ABSORBANCE KYOWA MEDEX CO., LTD. (JP) 1999-01-12 US disclosed
EP-0770688-A1 Method of quantitative determination of bilirubin and a reagent therefor KYOWA MEDEX CO., LTD. (JP) 1997-05-02 EP disclosed