SCHEMBL11817140

SCHEMBL11817140

O=C(O)c1cc(S(=O)(=O)C(F)(F)F)ccc1SCc1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.42
▸ CA4 P22748 2/20 0.42
▸ EPAS1 Q99814 2/20 0.39
▸ PTPRG P23470 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ PTPRZ1 P23471 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ PTPRC P08575 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 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
SCHEMBL11820018 0.89 CA2 (0.53) CA2CA4EPAS1PTPRGALDH1A1
SCHEMBL11817917 0.88 PTPRG (0.47) CA2CA4EPAS1PTPRGPTPRC
SCHEMBL11817749 0.88 PTPRG (0.44) CA2CA4EPAS1PTPRGALDH1A1
SCHEMBL11814899 0.88 PPARD (0.43) CA2CA4EPAS1PTPRGCA12
SCHEMBL11818479 0.84 CA2 (0.46) CA2CA4EPAS1PTPRGALDH1A1
SCHEMBL11818557 0.83 FKBP1A (0.47) CA2CA4PTPRGALDH1A1PTPRZ1
SCHEMBL11838590 0.83 LMNA (0.40) CA2CA4EPAS1PTPRGALDH1A1
SCHEMBL11821552 0.81 CA2 (0.42) CA2CA4PTPRGALDH1A1
SCHEMBL11818248 0.81 CA2 (0.43) CA2CA4EPAS1PTPRGALDH1A1
SCHEMBL11821491 0.81 MEN1 (0.45) CA2CA4ALDH1A1CA12CA1

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
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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