SCHEMBL8624823

SCHEMBL8624823

CS(=O)(=O)OCC1CC(COS(C)(=O)=O)C(COS(C)(=O)=O)C1COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL924141 0.88 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14987412 0.88 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14987109 0.88 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL13809524 0.80 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15042289 0.80 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL12908141 0.80 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16781749 0.80 USP2 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL30210365 0.79 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14559618 0.78 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7278734 0.78 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817777-A SEQUESTERING AMERSHAM INTERNATIONAL PLC (GB) 1998-10-06 US disclosed
EP-0668855-B1 SUBSTITUTED CYCLOPENTANE COMPOUNDS FOR USE AS CHELATING AGENTS AMERSHAM INT PLC (GB) 1998-06-24 EP disclosed
EP-0668855-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS FOR USE AS CHELATING AGENTS AMERSHAM INTERNATIONAL plc (GB) 1995-08-30 EP disclosed
WO-1994011339-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS FOR USE AS CHELATING AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1994-05-26 WO disclosed