SCHEMBL29948312

SCHEMBL29948312

CC(=O)Oc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
BLM P54132 4/20 0.38
RECQL P46063 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
APEX1 P27695 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
BRCA1 P38398 2/20 0.38
SLC10A1 Q14973 1/20 0.38
TSHR P16473 5/20 0.37

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
SCHEMBL168580 1.00 HTT (0.40) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL381650 0.98 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL381648 0.98 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL15522479 0.95 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL592737 0.95 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL19939980 0.93 HTT (0.35) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL9614018 0.93 MAPT (0.37) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL9614427 0.90 MAPT (0.37) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL17733109 0.89 KMT2A (0.43) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL218851 0.86 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077707-A1 A REAL-TIME, ADD-AND-READ FLUORESCENCE-BASED ASSAY FOR TESTING FUNCTION AND DRUG INTERACTIONS OF OATP TRANSPORTERS Cellpharma Kft. (HU) 2022-10-26 EP claimed
EP-3606639-B1 METHOD AND SYSTEM FOR SEPARATING BIOMOLECULES FROM A MIXTURE CONTAINING SAME UNIV RAMOT (IL) 2024-12-25 EP disclosed
EP-4077707-A1 A REAL-TIME, ADD-AND-READ FLUORESCENCE-BASED ASSAY FOR TESTING FUNCTION AND DRUG INTERACTIONS OF OATP TRANSPORTERS Cellpharma Kft. (HU) 2022-10-26 EP disclosed