SCHEMBL25486249

SCHEMBL25486249

C=CC(=O)OCCCCCCCCCCCOc1ccc(C#CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 3/20 0.48
FFAR1 O14842 8/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL12604080 0.90 TSHR (0.59) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL14373547 0.89 THRB (0.59) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL12348188 0.89 THRB (0.59) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL16133521 0.87 TSHR (0.56) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL12604045 0.87 THRB (0.49) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL14373542 0.86 THRB (0.65) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL12348189 0.86 THRB (0.56) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL14907529 0.86 THRB (0.59) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL18200235 0.86 THRB (0.59) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL14302525 0.85 TSHR (0.53) THRBTSHRALDH1A1CYP3A4HTT

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
US-20230151275-A1 COMPOUND, COMPOSITION FOR ANISOTROPIC DYE FILMS INCLUDING THE COMPOUND, ANISOTROPIC DYE FILM, AND OPTICAL ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2023-05-18 US disclosed