SCHEMBL25752708

SCHEMBL25752708

CC(C)(C)OC(=O)N1CCC(N2CCN(CCC(=O)O)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM1 P11229 1/20 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
SCHEMBL1795814 0.86 HPGD (0.46) HPGDTP53GPR119TDP1RECQL
SCHEMBL24745481 0.86 HPGD (0.46) HPGDTP53GPR119TDP1RECQL
SCHEMBL728912 0.86 USP2 (0.49) HPGDGPR119ALDH1A1USP2SMN1; SMN2
SCHEMBL23384349 0.85 HPGD (0.45) HPGDTP53GPR119TDP1RECQL
SCHEMBL309857 0.85 HPGD (0.45) HPGDTP53GPR119TDP1RECQL
SCHEMBL1479749 0.83 ACHE (0.48) HPGDTP53GPR119TDP1RECQL
SCHEMBL4987189 0.82 HPGD (0.51) HPGDTP53GPR119TDP1RECQL
SCHEMBL7368909 0.81 SMN1; SMN2 (0.43) HPGDTP53GPR119EPHX1KDM4E
SCHEMBL24744816 0.81 HPGD (0.43) HPGDTP53GPR119TDP1RECQL
SCHEMBL8671449 0.81 CHRM2 (0.43) HPGDTP53GPR119TDP1RECQL

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-2023122481-A2 CHEMICAL LINKERS SIGMA-ALDRICH CO. LLC (US) 2023-06-29 WO disclosed