SCHEMBL16413472

SCHEMBL16413472

O=C(O)c1c(F)c(F)c(C(=O)OC(=O)c2c(F)c(F)c(C(=O)O)c(F)c2C(=O)O)c(C(=O)O)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14322161 0.84 — —
SCHEMBL336420 0.79 CES2 (0.42) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL16673166 0.79 KDM4E (0.42) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL3020382 0.79 KDM4E (0.42) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL141037 0.79 CYP1A2 (0.40) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL22129210 0.77 TSHR (0.38) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
Hydrochloric Acid SCHEMBL7881769 0.76 CES2 (0.40) KDM4EASPHKDM8MEN1KMT2A
Hydrochloric Acid SCHEMBL6538272 0.76 CES2 (0.40) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL776289 0.76 CES2 (0.40) SMN1; SMN2
Hydrochloric Acid SCHEMBL4414501 0.76 CYP1A2 (0.38) KDM4EASPHKDM8MEN1KMT2A

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-20150030887-A1 MAGNETIC DEVICES WITH MOLECULAR OVERCOATS SEAGATE TECHNOLOGY LLC (US) 2015-01-29 — — US disclosed
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