SCHEMBL3968321

SCHEMBL3968321

C=CC(=O)OCCNS(=O)(=O)C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL4747186 0.83 TSHR (0.35) TSHRTHRB
SCHEMBL28384325 0.78 CA1 (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL325041 0.77 CA1 (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10151017 0.75 CA1 (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4013920 0.73 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28557959 0.72 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29679791 0.72 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28438444 0.72 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29679915 0.72 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27085681 0.72 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046016-A1 FLUOROPOLYMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-09 WO disclosed