SCHEMBL8914706

SCHEMBL8914706

CC(C)=C(COC(=O)Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 7/20 0.47
LMNA P02545 6/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HSD11B1 P28845 2/20 0.36
BCAT1 P54687 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR2 O95136 1/20 0.36
PRNP P04156 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8914917 0.83 LMNA (0.42) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL8914936 0.78 ALDH1A1 (0.44) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL8916022 0.74 ALDH1A1 (0.44) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL27456891 0.74 PSIP1 (0.48) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL8914974 0.73 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL8914970 0.73 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL8914962 0.73 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1LMNAMAPT
(Phenylsulfonyl)Benzene SCHEMBL11604384 0.70 HTR6 (0.50) SMN1; SMN2ALDH1A1LMNAL3MBTL1ATM
SCHEMBL12588740 0.68 ALDH1A1 (0.59) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL3245447 0.67 SMN1; SMN2 (0.53) SMN1; SMN2HTTALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637719-A PROTECTING PRIMARY OR SECONDARY AMINE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-10 US claimed
EP-0401817-B1 Reagents for rapid peptide synthesis RES CORP TECHNOLOGIES INC (US) 1995-09-13 EP claimed
US-5221754-A Easily removable blocking groups to protect primary or secondary amines RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-22 US claimed
EP-0401817-A2 Reagents for rapid peptide synthesis RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1990-12-12 EP claimed
US-5637719-A PROTECTING PRIMARY OR SECONDARY AMINE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-10 US disclosed
US-5510491-A 2-PROPENYL CHLOROFORMATE AND DERIVATIVES AS BLOCKING AGENTS FOR AMINO GROUPS OF PEPTIDES DURING PEPTIDE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-04-23 US disclosed
EP-0401817-B1 Reagents for rapid peptide synthesis RES CORP TECHNOLOGIES INC (US) 1995-09-13 EP disclosed
EP-0496836-B1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RES CORP TECHNOLOGIES INC (US) 1995-06-14 EP disclosed
US-5221754-A Easily removable blocking groups to protect primary or secondary amines RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-22 US disclosed
WO-1991005564-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-05-02 WO disclosed
EP-0401817-A2 Reagents for rapid peptide synthesis RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1990-12-12 EP disclosed