SCHEMBL22336441

SCHEMBL22336441

C=CC(=O)Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.47
▸ NR1H3 Q13133 5/20 0.47
▸ THRB P10828 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MLYCD O95822 6/20 0.43
▸ RORC P51449 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10858115 0.84 THRB (0.47) THRBKIF11
SCHEMBL12085342 0.84 KIF11 (0.56) THRBKIF11
SCHEMBL12592957 0.83 NR1H2 (0.37) NR1H2NR1H3THRBSMN1; SMN2MLYCD
Hydrochloric Acid SCHEMBL27901791 0.82 KIF11 (0.54) THRBKIF11
SCHEMBL26362758 0.81 THRB (0.49) THRBSMN1; SMN2KIF11HTTNPSR1
SCHEMBL15700285 0.81 THRB (0.51) THRBSMN1; SMN2KIF11HTTNPSR1
SCHEMBL12242603 0.79 THRB (0.46) THRBKIF11
SCHEMBL18459380 0.79 KIF11 (0.65) THRBKIF11
SCHEMBL2587522 0.79 THRB (0.64) THRBSMN1; SMN2LMNAHTT
SCHEMBL6733323 0.79 ESR1 (0.56) THRBKIF11

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
WO-2020162104-A1 COMPOSITION FOR SEALING ORGANIC LIGHT-EMITTING ELEMENT, AND ORGANIC LIGHT-EMITTING ELEMENT-SEALING FILM USING SAID COMPOSITION, AND FORMATION METHOD THEREFOR セントラル硝子株式会社 2020-08-13 — — WO disclosed
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