SCHEMBL8667935

SCHEMBL8667935

CS(=O)(=O)OCCC(CCOS(C)(=O)=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL1130328 0.92 KDM4E (0.40) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL1129936 0.90 KDM4E (0.41) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL4288966 0.81 ALDH1A1 (0.44) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL30788763 0.79 CTRB1 (0.35) TSHRKDM4EALOX15
SCHEMBL1129791 0.78 KDM4E (0.41) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL3706344 0.77 ALDH1A1 (0.55) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL1129777 0.76 KDM4E (0.40) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL30469514 0.75 USP2 (0.52) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL527588 0.74 USP2 (0.57) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL7622839 0.74 KDM4E (0.41) USP2TSHRKDM4EALDH1A1LMNA

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-5817602-A Herbicidal thiadiazabicyclodecanes NOVARTIS CORPORATION (US) 1998-10-06 US disclosed
EP-0705267-B1 HERBICIDAL THIADIAZABICYCLODECANES CIBA GEIGY AG (CH) 1997-08-13 EP disclosed
EP-0705267-A1 HERBICIDAL THIADIAZABICYCLODECANES CIBA GEIGY AG (CH) 1996-04-10 EP disclosed
WO-1995000521-A1 HERBICIDAL THIADIAZABICYCLODECANES CIBA-GEIGY AG (CH) 1995-01-05 WO disclosed