SCHEMBL3269699

SCHEMBL3269699

C=CC(=O)OCC(C)[N+](C)(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
BBOX1 O75936 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL15511403 0.87 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL3268621 0.85 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11762905 0.78 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL864444 0.76 TSHR (0.34) TSHR
SCHEMBL304033 0.75 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL27659543 0.74 CHRM5 (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27834736 0.74 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27615746 0.74 POLB (0.30)
Methylamine SCHEMBL16970990 0.73 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1406196 0.73 TSHR (0.46) TSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010070266-A1 AQUEOUS CARRIER FLUID BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2010-06-24 WO disclosed
EP-2199360-A1 Aqueous carrier fluid BP Exploration Operating Company Limited (GB) 2010-06-23 EP disclosed
EP-0680504-B1 METHOD OF TREATING SHALE AND CLAY IN HYDROCARBON FORMATION DRILLING CLEARWATER INC (US) 1999-03-10 EP disclosed
US-5607902-A FOAMING AGENTS AND COPOLYMERS OF DIALLYLDIMETHYLAMMONIUM CHLORIDE WITH ACRYLOYLOXY AMMONIUM MONOMERS CLEARWATER, INC. (US) 1997-03-04 US disclosed
EP-0680504-A1 METHOD OF TREATING SHALE AND CLAY IN HYDROCARBON FORMATION DRILLING CLEARWATER, INC. (US) 1995-11-08 EP disclosed
WO-1995014066-A1 METHOD OF TREATING SHALE AND CLAY IN HYDROCARBON FORMATION DRILLING CLEARWATER, INC. (US) 1995-05-26 WO disclosed
EP-0007012-B1 WELL TREATING ACIDIC COMPOSITION AND METHOD FOR TREATING SUBTERRANEAN FORMATIONS PHILLIPS PETROLEUM COMPANY (US) 1983-02-16 EP disclosed