SCHEMBL28604262

SCHEMBL28604262

NCCCC(=O)OC(=O)CCC(=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
HDAC3 O15379 1/20 0.44
GABBR2 O75899 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRR2 P28476 1/20 0.44
SLC6A1 P30531 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL28754323 0.87 OR51E2 (0.44) CYP1A2TSHRLMNATHRBBLM
SCHEMBL5792150 0.87 OR51E2 (0.48) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20010546 0.84 CYP1A2 (0.58) CYP1A2TSHRLMNATHRBBLM
SCHEMBL3776646 0.84 EGLN1 (0.55) TSHRLMNAMAPK1SLC13A3EGLN1
SCHEMBL28578043 0.83 CYP1A2 (0.45) CYP1A2TSHRLMNATHRBBLM
SCHEMBL25428238 0.83 OR51E2 (0.44) LMNAGABRR1MAPK1SLC13A3EGLN1
SCHEMBL6752506 0.81 EGLN1 (0.54) CYP1A2TSHRLMNATHRBBLM
SCHEMBL10678886 0.80 CYP1A2 (0.54) CYP1A2TSHRLMNATHRBBLM
SCHEMBL728986 0.79
SCHEMBL7257426 0.78 LMNA (0.54) CYP1A2TSHRLMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117083388-A Recombinant polypeptides having acyl-CoA compound reducing activity 旭化成株式会社 2023-11-17 CN claimed
CN-117500912-A Recombinant microorganism having diamine-producing ability and process for producing diamine 旭化成株式会社 2024-02-02 CN disclosed
CN-117441008-A Recombinant microorganism and method for producing C6 compound 旭化成株式会社 2024-01-23 CN disclosed
CN-117083388-A Recombinant polypeptides having acyl-CoA compound reducing activity 旭化成株式会社 2023-11-17 CN disclosed
CN-113197207-B Flavoring agent and method for improving flavor of pumpkin leaf taro 广东省农业科学院蔬菜研究所 2021-12-17 CN disclosed
CN-113197207-A Flavoring agent and method for improving flavor of pumpkin leaf taro 广东省农业科学院蔬菜研究所 2021-08-03 CN disclosed