SCHEMBL8552661

SCHEMBL8552661

CCC(Oc1ccccc1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
PGR P06401 2/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PSIP1 O75475 1/20 0.33

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
SCHEMBL8552400 0.81 CYP1A2 (0.38) LMNAHTTTSHRALDH1A1PGR
SCHEMBL18940526 0.79 LMNA (0.32) LMNAHTTTSHRHSD17B10MAPT
SCHEMBL4905925 0.77 CA1 (0.44) LMNAHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL5704313 0.77 MTNR1A (0.40) LMNAHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL16167281 0.71 TSHR (0.36) LMNAHTTTSHRHSD17B10ALDH1A1
SCHEMBL28131493 0.68 CA1 (0.45) LMNAHTTPPARGPSIP1
SCHEMBL5704304 0.68 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2MAPTMTNR1A
SCHEMBL17706031 0.68 TDP1 (0.39) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6923665 0.68 CA1 (0.54) LMNAPPARG
SCHEMBL28078111 0.67 CA1 (0.44) LMNAPPARG

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
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed