SCHEMBL28935895

SCHEMBL28935895

CCCC(C)Oc1ccccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MCHR1 Q99705 1/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL11673199 0.86 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL11267013 0.85 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL29165171 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL23209724 0.82 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL7769241 0.82 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL11838849 0.82 MCHR1 (0.54) ALDH1A1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL8940216 0.81 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL10746717 0.81 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL2820699 0.80 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL897268 0.79 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A

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
CN-115612311-B Dye, composition comprising same, film, optical member and display device 三星SDI株式会社 2024-03-22 CN disclosed
CN-115612311-A Dye, composition comprising same, film, optical member, and display device 三星SDI株式会社 2023-01-17 CN disclosed