SCHEMBL28304232

SCHEMBL28304232

CC(C)C[C@H](C#N)C(CCC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.42
CYP1A2 P05177 2/20 0.42
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
TET2 Q6N021 3/20 0.35
KDM4A O75164 2/20 0.35

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
SCHEMBL7343378 1.00 FOLH1 (0.42) FOLH1CYP1A2GABRPGABRDGABRA1
SCHEMBL2223205 0.83 GABRP (0.37) FOLH1CYP1A2GABRPGABRDGABRA1
SCHEMBL28342663 0.80 RNPEP (0.38) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL18548797 0.78 GABRP (0.33) FOLH1CYP1A2GABRPGABRDGABRA1
SCHEMBL19211601 0.76 CYP1A2 (0.50) FOLH1CYP1A2GABRPGABRDGABRA1
SCHEMBL261498 0.74 RNPEP (0.41) RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL262500 0.74 RNPEP (0.41) RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL8276004 0.74 RNPEP (0.41) RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL15688388 0.74 RNPEP (0.41) RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL28949225 0.72 FOLH1 (0.35) FOLH1CYP1A2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117802069-B Du Bangshi thermomyces lipase mutant, coding gene, engineering bacterium and application thereof 新余学院 2025-01-28 CN claimed
CN-117802069-A Du Bangshi thermomyces lipase mutant, coding gene, engineering bacterium and application thereof 新余学院 2024-04-02 CN claimed
CN-106591258-B A kind of lipase gene, carrier, engineering bacteria and its application 新余学院 2019-06-04 CN claimed
CN-117802069-B Du Bangshi thermomyces lipase mutant, coding gene, engineering bacterium and application thereof 新余学院 2025-01-28 CN disclosed
CN-117802069-A Du Bangshi thermomyces lipase mutant, coding gene, engineering bacterium and application thereof 新余学院 2024-04-02 CN disclosed
CN-112301017-A Lipase derived from pseudomonas and application thereof 江苏美科生物科技有限公司 2021-02-02 CN disclosed
CN-106676084-B A kind of lipase mutant, encoding gene and its application from thermophilic ankle section bacterium 浙江工业大学 2019-11-29 CN disclosed
CN-106676084-B A kind of lipase mutant, encoding gene and its application from thermophilic ankle section bacterium 浙江工业大学 2019-11-29 CN disclosed
CN-106591258-B A kind of lipase gene, carrier, engineering bacteria and its application 新余学院 2019-06-04 CN disclosed
CN-106591258-A Lipase gene, vector, engineering bacterium and application thereof 新余学院 2017-04-26 CN disclosed