SCHEMBL20657170

SCHEMBL20657170

O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 1.00
ACLY P53396 2/20 0.37
LMNA P02545 1/20 0.36
CA2 P00918 11/20 0.36
CA1 P00915 10/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
GAA P10253 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 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
SCHEMBL3368187 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL3368109 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL62447 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL517311 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL2637494 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL3628434 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL25223581 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL2106472 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL24715 1.00 THRB (1.00) THRBACLYLMNACA2CA1
SCHEMBL82682 1.00 THRB (1.00) THRBACLYLMNACA2CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717888-B2 Ink composition, ink set, recording method, and ink jet recording apparatus SEIKO EPSON CORPORATION (JP) 2020-07-21 US disclosed
US-20190023927-A1 INK COMPOSITION, INK SET, RECORDING METHOD, AND INK JET RECORDING APPARATUS SEIKO EPSON CORPORATION (JP) 2019-01-24 US disclosed