SCHEMBL2812759

SCHEMBL2812759

O=S(=O)([O-])c1ccccc1.[Ca+2].[O-]Cl

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR6 P50406 1/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
PLA2G7 Q13093 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DUSP3 P51452 1/20 0.44

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
SCHEMBL587792 0.95 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1
Benzene SCHEMBL28157245 0.95 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1
SCHEMBL11330347 0.95 ALDH1A1 (0.57) ALDH1A1TDP1HSD17B10HTR6CA1
Water SCHEMBL28907959 0.92 HTR6 (0.52) ALDH1A1TDP1HSD17B10HTR6CA1
SCHEMBL8622709 0.89 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1
SCHEMBL20533805 0.89 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1
SCHEMBL3178375 0.89 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1
SCHEMBL20533807 0.89 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1
SCHEMBL20583771 0.89 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1
SCHEMBL3409456 0.89 HTR6 (0.55) ALDH1A1TDP1HSD17B10HTR6CA1

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-2207416-B1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM IMERYS FILTRATION MINERALS INC (US) 2018-11-07 EP disclosed
US-20100239679-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2010-09-23 US disclosed
EP-2207416-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM World Minerals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045941-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2009-04-09 WO disclosed