SCHEMBL11816739

SCHEMBL11816739

O=C([O-])c1cc(C(F)(F)F)ccc1SCc1ccccc1.[Cs+]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ EPHX1 P07099 2/20 0.43
▸ FKBP1A P62942 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ CES2 O00748 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41

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
SCHEMBL11821838 0.99 CA2 (0.44) CA2CA4ALDH1A1EPHX1FKBP1A
SCHEMBL11821272 0.97 CA2 (0.43) CA2CA4ALDH1A1EPHX1FKBP1A
SCHEMBL11825084 0.97 CA2 (0.43) CA2CA4ALDH1A1EPHX1FKBP1A
Potassium Ion SCHEMBL11819033 0.97 CA2 (0.43) CA2CA4ALDH1A1EPHX1FKBP1A
SCHEMBL11820118 0.97 CA2 (0.43) CA2CA4ALDH1A1EPHX1FKBP1A
SCHEMBL10746094 0.88 FKBP1A (0.53) CA2CA4ALDH1A1FKBP1AGFER
SCHEMBL11825095 0.86 FKBP1A (0.52) CA2CA4ALDH1A1FKBP1AGFER
SCHEMBL11821280 0.86 FKBP1A (0.52) CA2CA4ALDH1A1FKBP1AGFER
SCHEMBL11819040 0.86 FKBP1A (0.52) CA2CA4ALDH1A1FKBP1AGFER
SCHEMBL11821844 0.86 FKBP1A (0.52) CA2CA4ALDH1A1FKBP1AGFER

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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