SCHEMBL28116440

SCHEMBL28116440

C=CC(=O)OC(F)(F)CCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
HPGD P15428 1/20 0.48
THRB P10828 4/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CES2 O00748 3/20 0.35
THRA P10827 1/20 0.35
FAAH O00519 7/20 0.34
ATM Q13315 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CES1 P23141 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9312022 0.83 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL9317313 0.81 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL31609320 0.81 TSHR (0.52) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL10878761 0.81 TSHR (0.44) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27592533 0.80 CES2 (0.39) CES2FAAHCES1MEN1CYP1A2
SCHEMBL3234096 0.79 TSHR (0.50) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL28780914 0.79 TSHR (0.50) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL8089327 0.79 TSHR (0.50) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL29372293 0.79 TSHR (0.50) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL23089872 0.79 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4

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-102753587-B Fluorine-containing (methyl) acrylic acid (co) polymer and film molded body thereof 株式会社钟化 2016-11-23 CN disclosed