SCHEMBL2106475

SCHEMBL2106475

O=C(OC(=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)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(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)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)C(F)(F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
CA2 P00918 11/20 0.40
CA1 P00915 10/20 0.40
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL11404267 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL5704658 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL11656430 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL11653580 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL1405391 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL1055310 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL11398170 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL2637496 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL20657169 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
Ammonia Solution, Strong SCHEMBL10940988 0.97 THRB (0.54) THRBCA2CA1MMP1MMP2

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-8158094-B2 Methods of preparing metal carbides THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-04-17 US disclosed
US-20100291298-A1 Methods of Preparing Metal Carbides THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-11-18 US disclosed