SCHEMBL7721044

SCHEMBL7721044

CC=C(Cc1ccccc1)OC(=CC)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
AKR1B1 P15121 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PAM P19021 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCC4 O15439 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL23214330 1.00 CES1 (0.44) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL7722933 0.81 CES2 (0.40) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL7720093 0.79 TSHR (0.46) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL9702035 0.73 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL28310293 0.73 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL19143851 0.72 ALDH1A1 (0.52) AKR1B1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL523309 0.71 CES1 (0.48) CES1CES2AKR1B1TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL27571740 0.71 CES1 (0.48) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL9107867 0.71 ALDH1A1 (0.41) CES1CES2AKR1B1TSHRALDH1A1
Methoxymethane SCHEMBL28215004 0.71 CES2 (0.43) CES1CES2AKR1B1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021070491-A1 PHOTOCURABLE COMPOSITION FOR NANOIMPRINTING サンアプロ株式会社 2021-04-15 WO disclosed
EP-1188732-A2 Combinatorial synthesis of a chemical library involving the separation of a zwitterionic compound by precipitation BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-0155634-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE 2,2-DIOXIDE AND OF ITS NON-TOXIC SALTS, AS WELL AS OF ACETOACETAMIDE-N-SULFONIC ACID OCCURRING AS AN INTERMEDIARY IN THIS PROCESS, AND ITS SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-13 EP disclosed
EP-0217024-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ON-2,2-DIOXIDE HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-25 EP disclosed
EP-0215347-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE-2,2-DIOXIDE AS WELL AS FOR ITS PURIFICATION HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed
EP-0218076-B1 PROCESS FOR THE PREPARATION OF THE NON-TOXIC SALTS OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ON-2,2-DIOXIDE HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-03 EP disclosed
EP-0173082-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE-2,2-DIOXIDE AND ITS NON-TOXIC SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
EP-0159516-B1 METHOD FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE-2,2-DIOXIDE AND ITS NON-TOXIC SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-20 EP disclosed
EP-0218076-A1 Process for the preparation of the non-toxic salts of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-on-2,2-dioxide HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 EP disclosed
EP-0217024-A1 Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-on-2,2-dioxide HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed
EP-0215347-A1 Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide as well as for its purification HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-25 EP disclosed
EP-0173082-A1 Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-05 EP disclosed
EP-0159516-A1 Method for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-30 EP disclosed
EP-0155634-A2 Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and of its non-toxic salts, as well as of acetoacetamide-N-sulfonic acid occurring as an intermediary in this process, and its salts HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-25 EP disclosed