SCHEMBL28967378

SCHEMBL28967378

CC(C)C(C=O)OC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
F2 P00734 1/20 0.45
CYP2D6 P10635 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL30137644 1.00 TSHR (0.56) TSHRTP53PDCD1CD274NPC1
SCHEMBL25846831 0.89 TSHR (0.64) TSHRTP53PDCD1CD274NPC1
SCHEMBL10509544 0.85 TSHR (0.51) TSHRTP53PDCD1CD274NPC1
SCHEMBL10509337 0.85 TSHR (0.51) TSHRTP53PDCD1CD274NPC1
SCHEMBL10510290 0.85 TSHR (0.51) TSHRTP53PDCD1CD274NPC1
SCHEMBL4579178 0.84 TSHR (0.50) TSHRTP53PDCD1CD274NPC1
SCHEMBL10509247 0.83 TSHR (0.50) TSHRTP53PDCD1CD274NPC1
SCHEMBL10507957 0.83 TSHR (0.50) TSHRTP53PDCD1CD274NPC1
SCHEMBL10507467 0.83 TSHR (0.50) TSHRTP53PDCD1CD274NPC1
SCHEMBL10507657 0.83 TSHR (0.50) TSHRTP53PDCD1CD274NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611918-B Dibenzofurane-based binary-axis chiral organic circularly polarized phosphorescent compounds 哈尔滨工业大学(深圳) 2024-01-02 CN claimed
CN-115611918-A Dibenzofuran-based binary axis chiral organic circularly polarized phosphorescent compound 哈尔滨工业大学(深圳) 2023-01-17 CN claimed
CN-115611918-B Dibenzofurane-based binary-axis chiral organic circularly polarized phosphorescent compounds 哈尔滨工业大学(深圳) 2024-01-02 CN disclosed
CN-115611918-A Dibenzofuran-based binary axis chiral organic circularly polarized phosphorescent compound 哈尔滨工业大学(深圳) 2023-01-17 CN disclosed