SCHEMBL3395529

SCHEMBL3395529

CC(COS(C)(=O)=O)C(OS(C)(=O)=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8638824 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14778151 0.77 ALDH1A1 (0.50) ALDH1A1USP2TSHR
SCHEMBL10431030 0.74 CYP24A1 (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL8950385 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4353683 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14779604 0.73 ALDH1A1 (0.46) ALDH1A1
SCHEMBL575554 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL13517494 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL16480970 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2057972 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203519-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS King Industries (US) 2010-07-07 EP claimed
WO-2009045466-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS KING INDUSTRIES (US) 2009-04-09 WO claimed