SCHEMBL8149084

SCHEMBL8149084

C=CC(=O)NC(C)(C)CS(=O)(=O)[O-].C=CC(=O)NC(C)(C)CS(=O)(=O)[O-].[Mg+2]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

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 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
GRK2 P25098 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APAF1 O14727 1/20 0.44
DNMT1 P26358 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PPP1CA P62136 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.33

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
Silver SCHEMBL7996722 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
Zinc Ion SCHEMBL29206346 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL8472395 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL8153928 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL8148494 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL8063593 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
Lithium Ion SCHEMBL6048636 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL121581 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
Potassium Ion SCHEMBL3658389 0.96 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
Methyl Alcohol SCHEMBL29184376 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030928-A FORMING DRILLING FLUID COMPRISING WATER, CLAY, AND POLYMER MADE FROM N-VINYL LACTAM AND VINLY CONTAINING PHOSPHONIC ACID OR PHOSPHONATE SALT AND CIRCULATING FLUID IN BORE HOLE DURING DRILLING OF A WELL PHILLIPS PETROLEUM COMPANY (US) 2000-02-29 US disclosed
US-5382371-A Fluids for injection in a well bore for completion and plugging a subterranean formation PHILLIPS PETROLEUM COMPANY (US) 1995-01-17 US disclosed
US-5326854-A Flocculation process using lactam or vinyl sulfonate polymer PHILLIPS PETROLEUM COMPANY (US) 1994-07-05 US disclosed
US-5186257-A N-vinylpyrrolidone homo-, co- and terpolymers with vinly sulfonates and phosphonates PHILLIPS PETROLEUM COMPANY (US) 1993-02-16 US disclosed
US-5080809-A Thickeners for use in enhanced oil recovery PHILLIPS PETROLEUM COMPANY (US) 1992-01-14 US disclosed