SCHEMBL9150227

SCHEMBL9150227

COCC(=O)Nc1ccc(S(=O)(=O)CCO)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 5/20 0.54
KDM4C Q9H3R0 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL9148011 0.86 SMN1; SMN2 (0.49) ALDH1A1HPGDKDM4CKMT2AKDM4E
SCHEMBL9149244 0.78 SMN1; SMN2 (0.53) ALDH1A1HPGDKDM4CKMT2AMAPT
SCHEMBL14426553 0.74 HPGD (0.78) ALDH1A1HPGDKDM4CKMT2AKDM4E
SCHEMBL10658933 0.74 ALDH1A1 (0.73) ALDH1A1HPGDKDM4CKMT2AKDM4E
SCHEMBL15886354 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4CKMT2AKDM4E
SCHEMBL10802549 0.72 HPGD (0.51) ALDH1A1HPGDKDM4CKMT2AKDM4E
SCHEMBL14962804 0.72 HPGD (0.81) ALDH1A1HPGDKDM4CKMT2AKDM4E
SCHEMBL7034776 0.71 MEP1B (0.46) ALDH1A1HPGDKMT2AL3MBTL1MAPT
SCHEMBL11521917 0.69 ALDH1A1 (0.62) ALDH1A1HPGDKDM4CKMT2AKDM4E
SCHEMBL11236825 0.69 MAPT (0.51) ALDH1A1KMT2AKDM4ERAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463100-A Spraying a mixture of an aminoaryl beta-hydroxyethylsulfone and sulfuric acid into a hot gas stream; drying, esterification and any hydrolysis take place simultaneously; granules HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US claimed
EP-0390826-B1 PROCESS FOR PRODUCING AMINOARYL-BETA-SULPHATOETHYLSULPHONE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP claimed
US-5463100-A Spraying a mixture of an aminoaryl beta-hydroxyethylsulfone and sulfuric acid into a hot gas stream; drying, esterification and any hydrolysis take place simultaneously; granules HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed