SCHEMBL28433758

SCHEMBL28433758

CCC(OCCCS)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
BCHE P06276 1/20 0.35
TYR P14679 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL25272226 0.87 TSHR (0.50) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL28638989 0.83 TSHR (0.53) TSHRGABRA1GABRB2BCHETYR
SCHEMBL22444462 0.80 TSHR (0.57) TSHRGABRA1GABRB2BCHETYR
SCHEMBL10461606 0.76 TSHR (0.44) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL25271814 0.76 TSHR (0.44) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL27024550 0.76 TSHR (0.61) TSHRGABRA1GABRB2BCHETYR
SCHEMBL5587830 0.75 BCHE (0.44) TSHRBCHETYRACHEPTPN1
SCHEMBL2150976 0.74 TSHR (0.59) TSHRGABRA1GABRB2BCHETYR
SCHEMBL6535435 0.74 TSHR (0.42) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL28660285 0.73 TSHR (0.44) TSHRGABRA1GABRB2POLBHDAC2

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-118019780-A Polyimide, polyimide precursor, composition, and method for producing polyimide 富士胶片株式会社 2024-05-10 CN disclosed
CN-116568502-A Active energy ray-curable composition having dark part curability 东亚合成株式会社 2023-08-08 CN disclosed
CN-108047749-B Colored resin composition, color filter, liquid crystal display device, and organic EL display device 三菱化学株式会社 2020-06-19 CN disclosed