SCHEMBL28633093

SCHEMBL28633093

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ GABBR2 O75899 1/20 0.33
▸ GABBR1 Q9UBS5 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ATP2A2 P16615 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ATP2A3 Q93084 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL13280565 0.72 GABRA1 (0.43) GABRA1GABRB2POLBGABBR2GABBR1
SCHEMBL9327676 0.67 GABBR2 (0.37) GABBR2GABBR1
SCHEMBL10711356 0.67 GABBR2 (0.37) GABBR2GABBR1
SCHEMBL1171494 0.67 GABRA1 (0.43) GABRA1GABRB2POLBGABBR2GABBR1
SCHEMBL11357994 0.67 POLB (0.46) GABRA1GABRB2POLBGABBR2GABBR1
SCHEMBL7136246 0.67 GABRA1 (0.43) GABRA1GABRB2POLBGABBR2GABBR1
SCHEMBL28172191 0.67 GABRA1 (0.50) GABRA1GABRB2POLBHSP90AA1CYP1A2
SCHEMBL25798864 0.67 GABRA1 (0.39) GABRA1GABRB2POLBGABBR2GABBR1
SCHEMBL27358164 0.66 KDM4E (0.31) GABRA1GABRB2CYP1A2KDM4EALDH1A1
SCHEMBL25468636 0.65 GABRA1 (0.42) GABRA1GABRB2POLBGABBR2GABBR1

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-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 — — CN claimed
CN-111303150-B High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2021-10-19 — — CN disclosed
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 — — CN disclosed
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