SCHEMBL7823243

SCHEMBL7823243

CS(=O)(=O)OCC(F)=C(F)F.OCC(F)=C(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4186274 0.91 USP2 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5843472 0.87 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16140136 0.70
SCHEMBL8527708 0.70 USP2 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7791097 0.69
SCHEMBL2388150 0.68
SCHEMBL7348117 0.64
Acetic Acid SCHEMBL815472 0.64 FFAR3 (0.41)
SCHEMBL7354141 0.64 USP2 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7287160 0.63

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-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed