SCHEMBL31064202

SCHEMBL31064202

CC(C)(C)OC(=O)N1CCC(OC(=O)N2C3CCCC2CC3)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
PREP P48147 4/20 0.47
EPHX1 P07099 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
RECQL P46063 1/20 0.43
PIK3CD O00329 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
PDE4B Q07343 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL29703403 0.83 HPGD (0.64) HPGDPREPEPHX1RECQLPIK3CD
SCHEMBL29703410 0.83 HPGD (0.64) HPGDPREPEPHX1RECQLPIK3CD
SCHEMBL2721275 0.83 HPGD (0.64) HPGDPREPEPHX1RECQLPIK3CD
SCHEMBL17392565 0.80 HPGD (0.51) HPGDEPHX1RECQLPIK3CDMEN1
SCHEMBL6988508 0.80 HPGD (0.51) HPGDEPHX1RECQLPIK3CDMEN1
SCHEMBL13219346 0.80 HPGD (0.51) HPGDEPHX1RECQLPIK3CDMEN1
SCHEMBL7299784 0.80 HPGD (0.51) HPGDEPHX1RECQLPIK3CDMEN1
SCHEMBL65675 0.80 HPGD (0.51) HPGDEPHX1RECQLPIK3CDMEN1
SCHEMBL12345350 0.79 CHRM2 (0.68) HPGDPREPEPHX1CHRM2CHRM1
SCHEMBL20635190 0.79 CHRM2 (0.68) HPGDPREPEPHX1CHRM2CHRM1

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-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 WO disclosed