SCHEMBL30458093

SCHEMBL30458093

CC(C)C(=O)OC[C@H]1CC[C@H](C)CC1.CC(C)C(=O)OC[C@H]1CC[C@H](C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGIR P43119 1/20 0.32
ACACB O00763 1/20 0.31
PSMB5 P28074 1/20 0.31
EPHX1 P07099 1/20 0.31
HPGD P15428 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL9967748 0.92 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL8023506 0.83 LMNA (0.44) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL8027411 0.83 LMNA (0.48) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL25840101 0.82 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL21671173 0.82 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL2908890 0.82 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL21671190 0.82 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL24482507 0.81 ACACB (0.34) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL30457829 0.81 MAPT (0.38) SLC1A3SLC1A2SLC1A1LMNAALDH1A1
SCHEMBL16706080 0.81 GRM1 (0.33) SLC1A3SLC1A2SLC1A1LMNAPTGIR

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
CN-116194144-A Prodrugs of phosphoramide nucleotide analogs and pharmaceutical uses thereof 吉利德科学公司 2023-05-30 CN disclosed