SCHEMBL8380233

SCHEMBL8380233

CC(=O)Oc1ccccc1S(=O)(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
BLM P54132 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
PGAM1 P18669 1/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL3018679 0.98 PTGS2 (0.52) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL29753992 0.98 PTGS2 (0.52) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL8380237 0.96 PTGS2 (0.50) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL14655825 0.85 PTGS2 (0.50) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL6535328 0.83 PTGS2 (0.52) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL6203454 0.82 HSD17B10 (0.39) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL3973263 0.82 MAPK1 (0.56) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL246275 0.82 ELANE (0.45) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL30509821 0.82 ELANE (0.45) PTGS2KDM4EALDH1A1HSD17B10BLM
SCHEMBL14655863 0.81 PTGS2 (0.50) PTGS2KDM4EALDH1A1HSD17B10BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719250-B1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACIDS AND LACTAMS PROCTER & GAMBLE (US) 1999-04-14 EP disclosed
EP-0884306-A2 Synthesis of amido acids from Carboxylic acids and lactams THE PROCTER & GAMBLE COMPANY (US) 1998-12-16 EP disclosed
US-5534642-A FOLLOWED BY CONVERSION TO PHENYL ESTER SULFONATES, SIMPLE, LOW COST, BLEACH ACTIVATORS FOR DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-07-09 US disclosed
EP-0719250-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACIDS AND LACTAMS THE PROCTER & GAMBLE COMPANY (US) 1996-07-03 EP disclosed
EP-0719249-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACID ESTERS AND AMINO ACID SALTS THE PROCTER & GAMBLE COMPANY (US) 1996-07-03 EP disclosed
US-5414099-A Acid catalyst; also making phenyl esters by reacting the amido acids either with phenol in presence of acid catalyst and boric acid or with phenol ester of lower molecular weight carboxylic acid in presence of basic catalyst THE PROCTER & GAMBLE COMPANY (US) 1995-05-09 US disclosed
WO-1995007882-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACID ESTERS AND AMINO ACID SALTS THE PROCTER & GAMBLE COMPANY (US) 1995-03-23 WO disclosed
WO-1995007883-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACIDS AND LACTAMS THE PROCTER & GAMBLE COMPANY (US) 1995-03-23 WO disclosed