SCHEMBL28188587

SCHEMBL28188587

O=C(O)C1(O)c2ccccc2-c2ccc(Cl)c(-c3ccccc3)c21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ PDK2 Q15119 12/20 0.41
▸ FABP3 P05413 4/20 0.38
▸ FABP4 P15090 4/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ MAP2 P11137 1/20 0.36
▸ HNF4A P41235 1/20 0.35

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
SCHEMBL11104434 0.82 THRB (0.57) THRBTDP1PDK2
SCHEMBL27339701 0.81 THRB (0.65) THRBTDP1PDK2
SCHEMBL27497315 0.79 THRB (0.71) THRBTDP1PDK2HNF4A
SCHEMBL11469925 0.75 THRB (1.00) THRBTDP1PDK2
SCHEMBL66735 0.75 THRB (1.00) THRBTDP1PDK2
SCHEMBL30488775 0.75 THRB (1.00) THRBTDP1PDK2
SCHEMBL8094339 0.73 THRB (0.67) THRBTDP1PDK2
Bromide SCHEMBL27743796 0.73 THRB (0.95) THRBTDP1PDK2
SCHEMBL30519841 0.72 THRB (0.70) THRBTDP1PDK2FABP4FABP5
SCHEMBL68561 0.72 THRB (0.70) THRBTDP1PDK2FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107467043-A A kind of tuber fern regenerative agent and its application method 长沙理工大学 2017-12-15 — — CN claimed
CN-107467043-A A kind of tuber fern regenerative agent and its application method 长沙理工大学 2017-12-15 — — CN disclosed
CN-107432281-A A kind of carnation is short to control agent and its application method 长沙理工大学 2017-12-05 — — CN disclosed
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