SCHEMBL13580724

SCHEMBL13580724

O=C(O)C[S+]([O-])C1CCN(c2ccc(C(F)(F)F)cc2C(F)(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 15/20 0.44
▸ LPL P06858 4/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.42
▸ LIPC P11150 4/20 0.42
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SERPINE1 P05121 1/20 0.39

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
SCHEMBL1410402 0.81 FFAR4 (0.47) FFAR4CYP2C9CYP2C19
SCHEMBL1410821 0.77 NOTUM (0.62) —
SCHEMBL12210016 0.76 LIPG (0.47) LIPGLPLFFAR4LIPC
SCHEMBL12210096 0.76 LIPG (0.61) LIPGLPLFFAR4LIPC
SCHEMBL1410458 0.75 LIPG (0.46) LIPGLPLFFAR4LIPC
SCHEMBL1409542 0.75 LIPG (0.47) LIPGLPLFFAR4LIPCALDH1A1
SCHEMBL1410556 0.75 LIPG (0.60) LIPGLPLFFAR4LIPC
SCHEMBL1410343 0.73 LMNA (0.55) LIPGLPLMAPTMEN1ALDH1A1
SCHEMBL1410455 0.72 LIPG (0.43) LIPGLPLFFAR4LIPCMAPT
SCHEMBL1410555 0.72 LIPG (0.56) LIPGLPLLIPCLMNA

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-2009145286-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-12-03 — — WO disclosed
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