SCHEMBL30439764

SCHEMBL30439764

CC(C)(C)OC(=O)[C@@H](N)CCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 3/20 0.43
LTA4H P09960 1/20 0.41
BHMT Q93088 4/20 0.41
ALDH1A1 P00352 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 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
SCHEMBL2218974 1.00 ENPEP (0.43) ENPEPLTA4HBHMTALDH1A1GABRP
SCHEMBL337707 0.89 CYP1A2 (0.52) ENPEPLTA4HGABRPGABRDGABRA1
SCHEMBL561334 0.89 CYP1A2 (0.52) ENPEPLTA4HGABRPGABRDGABRA1
SCHEMBL6740146 0.89 CYP1A2 (0.52) ENPEPLTA4HGABRPGABRDGABRA1
SCHEMBL28096244 0.87 CYP1A2 (0.50) ENPEPLTA4HGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL3580142 0.87 CYP1A2 (0.50) ENPEPLTA4HGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL2124734 0.87 CYP1A2 (0.50) ENPEPLTA4HGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL2124740 0.87 CYP1A2 (0.50) ENPEPLTA4HGABRPGABRDGABRA1
SCHEMBL23416460 0.86 LTA4H (0.39) LTA4HCYP1A2SLC1A1MEN1KMT2A
SCHEMBL3176136 0.86 LTA4H (0.39) LTA4HCYP1A2SLC1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed