SCHEMBL9397882

SCHEMBL9397882

O=S(=O)(OO)c1ccc2ccc3c(S(=O)(=O)OO)cc(S(=O)(=O)OO)c4ccc1c2c34

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 3/20 0.31
CYP3A4 P08684 3/20 0.31
THRB P10828 3/20 0.31
HPGD P15428 3/20 0.31
MAPK1 P28482 3/20 0.31
RECQL P46063 3/20 0.31
KMT2A Q03164 3/20 0.31
HSD17B10 Q99714 3/20 0.31
APEX1 P27695 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 2/20 0.31
BRCA1 P38398 2/20 0.31
BLM P54132 2/20 0.31
SLC10A1 Q14973 1/20 0.31
CYP2C9 P11712 2/20 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
SCHEMBL9397885 0.90 CYP1A2 (0.39) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL28193525 0.85 ALDH1A1 (0.42) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL28005645 0.80 CYP1A2 (0.39) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL28059251 0.78 CYP1A2 (0.39) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL28011471 0.78 AURKA (0.39) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL3822788 0.77 AURKA (0.42) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL30218795 0.77 AURKA (0.42) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL27999679 0.76 AURKA (0.41) CYP1A2KDM4EMEN1CYP3A4THRB
SCHEMBL27842341 0.76 AURKA (0.41) CYP1A2KDM4EMEN1CYP3A4THRB
Water SCHEMBL28058241 0.76 AURKA (0.41) CYP1A2KDM4EMEN1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361894-B1 Loading and controlled release of amphiphatic molecules to and from liposomes YISSUM RES DEV CO (IL) 1994-11-09 EP disclosed
US-5316771-A Drug delivery YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1994-05-31 US disclosed
US-5192549-A Ammonium gradient, sustained release, doxorubicin, acridine orange YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1993-03-09 US disclosed
EP-0361894-A2 Loading and controlled release of amphiphatic molecules to and from liposomes YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1990-04-04 EP disclosed