SCHEMBL28578043

SCHEMBL28578043

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
LMNA P02545 2/20 0.39
THRB P10828 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRR2 P28476 1/20 0.39
SLC6A1 P30531 1/20 0.39
GABRA5 P31644 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
SCHEMBL20010546 0.84 CYP1A2 (0.58) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL28604262 0.83 CYP1A2 (0.45) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL10678886 0.80 CYP1A2 (0.54) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL9122 0.79 TSHR (0.48) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL5061716 0.79 ALDH1A1 (0.50) LMNAALDH1A1
SCHEMBL297250 0.78 CYP1A2 (0.52) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL7257426 0.78 LMNA (0.54) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL887119 0.77 NFKB1 (0.55) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL16911922 0.77 CYP1A2 (0.52) CYP1A2LMNATHRBBLMKMT2A
Hydrochloric Acid SCHEMBL25178227 0.76 CYP1A2 (0.50) CYP1A2LMNATHRBBLMKMT2A

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-109072261-B Process for producing L-glufosinate 巴斯夫欧洲公司 2023-03-17 CN disclosed
CN-112739822-A Method for improving L-glufosinate-ammonium yield 巴斯夫欧洲公司 2021-04-30 CN disclosed