SCHEMBL21071685

SCHEMBL21071685

NCS(=O)(=O)O.OCC1CCC(CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 1/20 0.39
LMNA P02545 3/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
CYP3A4 P08684 2/20 0.33
ESR1 P03372 2/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
APP P05067 1/20 0.33
CYP2C9 P11712 1/20 0.33
ESR2 Q92731 1/20 0.33
EPHX2 P34913 1/20 0.32
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
NFKB1 P19838 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL7705222 0.79 INPP5A (0.37) INPP5ALMNACYP3A4ESR1CYP2C9
Hydrazine SCHEMBL1873192 0.74 ESR1 (0.42) LMNACYP3A4ESR1PLGPLAT
SCHEMBL297828 0.74 ESR2 (0.46) CYP3A4ESR1CYP2C9ESR2EPHX2
SCHEMBL2267415 0.74 ESR2 (0.46) CYP3A4ESR1CYP2C9ESR2EPHX2
SCHEMBL4610 0.74
SCHEMBL151552 0.74
SCHEMBL130642 0.74 ESR2 (0.46) CYP3A4ESR1CYP2C9ESR2EPHX2
SCHEMBL1316560 0.74 ESR2 (0.46) CYP3A4ESR1CYP2C9ESR2EPHX2
SCHEMBL27912 0.74 ESR2 (0.46) CYP3A4ESR1CYP2C9ESR2EPHX2
SCHEMBL9215451 0.73 INPP5A (0.33) INPP5ACYP3A4ESR1CYP2C9ESR2

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
US-11111431-B2 Method for reducing the permeability of a subterranean formation to aqueous-based fluids DOW GLOBAL TECHNOLOGIES LLC (US) 2021-09-07 US disclosed
US-20190330522-A1 METHOD FOR REDUCING THE PERMEABILITY OF A SUBTERRANEAN FORMATION TO AQUEOUS-BASED FLUIDS DOW GLOBAL TECHNOLOGIES LLC 2019-10-31 US disclosed
US-20190194525-A1 COMPOSITION FOR RECOVERING HYDROCARBON FLUIDS FROM A SUBTERRANEAN RESERVOIR DOW GLOBAL TECHNOLOGIES LLC (US) 2019-06-27 US disclosed