SCHEMBL29307381

SCHEMBL29307381

CC(C)(C)OC(=O)N1CCC(N2CCC[C@@H](N)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
EPHX1 P07099 1/20 0.47
PARP1 P09874 1/20 0.45
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HCAR1 Q9BXC0 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL117231 0.92 HPGD (0.48) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL1675672 0.88 HPGD (0.50) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL16845137 0.84 HPGD (0.50) HPGDEPHX1PARP1RECQLMAPT
SCHEMBL17128329 0.84 HPGD (0.62) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL994288 0.84 HPGD (0.58) HPGDEPHX1RECQLMAPTKDM4E
SCHEMBL31482198 0.83 HPGD (0.49) HPGDEPHX1PARP1RECQLGPR119
SCHEMBL31482201 0.83 HPGD (0.49) HPGDEPHX1PARP1RECQLMAPT
SCHEMBL31482233 0.83 HPGD (0.49) HPGDEPHX1PARP1RECQLMAPT
SCHEMBL4161964 0.82 HPGD (0.50) HPGDEPHX1PARP1RECQLMAPT
SCHEMBL24183616 0.82 HPGD (0.51) HPGDEPHX1PARP1RECQLMAPT

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
WO-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 WO disclosed