SCHEMBL9277263

SCHEMBL9277263

C=CCNCCS(=O)(=O)O.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
APP P05067 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
SCHEMBL28577494 1.00 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL466387 0.98 LMNA (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
Phosphonic Acid SCHEMBL27874629 0.90
SCHEMBL11140857 0.85 APP (0.38) LMNACYP2C19KDM4EALDH1A1NPC1
SCHEMBL1119820 0.85 APP (0.38) LMNACYP2C19KDM4EALDH1A1NPC1
SCHEMBL3998052 0.78 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
Sulfuric Acid SCHEMBL29789453 0.77 PAOX (0.39) LMNACYP2C19KDM4EALDH1A1NPC1
SCHEMBL9786720 0.77 CYP2D6 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL31197102 0.77 FAAH (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
Sulfuric Acid SCHEMBL27789111 0.76 TSHR (0.37) KDM4EALDH1A1KMT2ATSHRSMN1; SMN2

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
JP-7278097-A None JP disclosed
JP-4360863-A None JP disclosed
US-5464502-A Anionic sulfonate surfactants in the washing and pulping operation BETZ PAPERCHEM, INC. (US) 1995-11-07 US disclosed
JP-H07278097-A METHOD FOR PRODUCING SODIUM N-ALKYLAMINOETHANESULFONATE TOSOH CORP 1995-10-24 JP disclosed
JP-H04360863-A PRODUCTION OF SODIUM N-ALKYLAMINOETHANESULFONATE TOSOH CORP 1992-12-14 JP disclosed