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Sugi Predict / Compounds / SCHEMBL28055019

SCHEMBL28055019

SCHEMBL28055019

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.54
▸ CA2 P00918 5/20 0.32
▸ CA1 P00915 4/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 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
SCHEMBL28005480 0.97 THRB (0.50) THRBCA2CA1MMP1MMP2
SCHEMBL20377899 0.90 THRB (0.40) THRB
SCHEMBL28030131 0.89 THRB (0.65) THRBCA2CA1MMP1MMP2
SCHEMBL20478148 0.89 THRB (0.65) THRBCA2CA1MMP1MMP2
SCHEMBL28417455 0.89 THRB (0.65) THRBCA2CA1MMP1MMP2
SCHEMBL18937067 0.89 THRB (0.65) THRBCA2CA1MMP1MMP2
SCHEMBL20478151 0.89 THRB (0.65) THRBCA2CA1MMP1MMP2
SCHEMBL29133533 0.87 THRB (0.60) THRBCA2CA1MMP1MMP2
SCHEMBL5203456 0.84 THRB (0.35) THRB
SCHEMBL18222576 0.81 THRB (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105518054-A Method for separating carboxylic acid compound containing perfluoro(poly)ether group DAIKIN IND LTD 2016-04-20 — — CN disclosed