SCHEMBL30170199

SCHEMBL30170199

CC(C)(C)[C@H](OCC1CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.49
SLC1A2 P43004 6/20 0.49
SLC1A1 P43005 6/20 0.49
CNR2 P34972 2/20 0.34
TP53 P04637 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL30170355 0.81 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CNR2
SCHEMBL13501749 0.80 CNR2 (0.39) SLC1A3SLC1A2SLC1A1CNR2
SCHEMBL13435110 0.79 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1CNR2KMT2A
SCHEMBL23289844 0.79 PTGIR (0.59)
SCHEMBL2377561 0.79 ALDH1A1 (0.39) KMT2A
SCHEMBL13499740 0.78 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1CNR2CTSS
SCHEMBL13461495 0.78 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1CNR2CTSS
SCHEMBL19715260 0.76 BCHE (0.48) KMT2A
SCHEMBL13501743 0.74 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CNR2CTSS
SCHEMBL19119024 0.74 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1TP53LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159548-A Antiviral compounds 安力高医药股份有限公司 2024-06-07 CN disclosed
EP-4366831-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2024-05-15 EP disclosed
WO-2023283256-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-01-12 WO disclosed