SCHEMBL24969825

SCHEMBL24969825

CC(C)(C)OC(=O)n1ccc(C(=O)OC(C)(C)CO)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGDS O60760 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BCHE P06276 1/20 0.32
ACKR3 P25106 1/20 0.32
F2 P00734 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL7421479 0.88 GABRG2 (0.40) KMT2AMEN1HPGDGABRG2GABRB3
SCHEMBL22263387 0.81 GABRG2 (0.36) KMT2AMEN1HPGDGABRG2GABRB3
SCHEMBL28788197 0.79 KMT2A (0.37) KMT2AMEN1HPGDNPC1MAPT
SCHEMBL20920373 0.78 KMT2A (0.53) KMT2AMEN1HPGDNPC1MAPT
SCHEMBL22190961 0.76 HPGDS (0.39) GABRG2GABRB3GABRA5MAPTHPGDS
SCHEMBL17633162 0.76 CYP4F2 (0.39) KMT2AMEN1HPGDMAPTBCHE
SCHEMBL28155365 0.75 BCHE (0.37) KMT2AMEN1HPGDNPC1MAPT
SCHEMBL28074789 0.75 SCN4A (0.38) HPGDGABRG2GABRB3GABRA5MAPT
SCHEMBL25234455 0.73 BCHE (0.33) KMT2AMEN1BCHEABCB1FAAH
SCHEMBL17361380 0.73 CYP4F2 (0.42) KMT2AMEN1HPGDMAPTALDH1A1

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
EP-4198024-A1 PYRAZOLE MAGL INHIBITORS H. Lundbeck A/S (DK) 2023-06-21 EP disclosed
EP-3630744-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2023-01-25 EP disclosed