SCHEMBL9017955

SCHEMBL9017955

CC(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)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 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
SCHEMBL28348130 1.00 THRB (0.46) THRBTSHRCA1CA2MEN1
SCHEMBL26101502 1.00 THRB (0.46) THRBTSHRCA1CA2MEN1
SCHEMBL4455268 0.98 THRB (0.43) THRBTSHRCA1CA2MEN1
SCHEMBL26101283 0.91 TSHR (0.39) THRBTSHRCA1CA2MEN1
SCHEMBL8097233 0.84 THRB (0.43) THRBCA1CA2MMP1MMP2
SCHEMBL4452264 0.82 TSHR (0.42) TSHRCA1CA2MEN1KMT2A
SCHEMBL26061856 0.81 TSHR (0.37) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL18922817 0.79 THRB (0.41) THRBTSHRMEN1KMT2APTPN1
SCHEMBL27777783 0.76 THRB (0.36) THRBTSHRCA1CA2
SCHEMBL196434 0.76 THRB (0.52) THRBCA1CA2MMP1MMP2

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
JP-8003086-A None JP disclosed
JP-H083086-A PRODUCTION OF FLUORINATED ALCOHOL IDEMITSU PETROCHEM CO LTD 1996-01-09 JP disclosed