SCHEMBL29217331

SCHEMBL29217331

CCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O.CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.90
▸ TRPM7 Q96QT4 1/20 0.90
▸ DAGLA Q9Y4D2 1/20 0.90
▸ CNR2 P34972 3/20 0.71
▸ APP P05067 1/20 0.64
▸ PTPN1 P18031 1/20 0.64
▸ BACE1 P56817 1/20 0.64
▸ PTGES O14684 1/20 0.60
▸ ALOX5 P09917 1/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ MAOB P27338 1/20 0.57
▸ PPARG P37231 4/20 0.56
▸ PPARD Q03181 2/20 0.56
▸ PPARA Q07869 2/20 0.56
▸ CNR1 P21554 2/20 0.56
▸ TRPV1 Q8NER1 2/20 0.56
▸ DNMT1 P26358 1/20 0.56
▸ SIRT5 Q9NXA8 1/20 0.56
▸ TRPA1 O75762 1/20 0.56

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
SCHEMBL29530591 0.98 SLC6A3 (0.94) SLC6A3TRPM7DAGLACNR2APP
SCHEMBL21814624 0.98 SLC6A3 (0.94) SLC6A3TRPM7DAGLACNR2APP
SCHEMBL29530411 0.96 SLC6A3 (0.85) SLC6A3TRPM7DAGLACNR2APP
SCHEMBL13214111 0.96 SLC6A3 (0.85) SLC6A3TRPM7DAGLACNR2APP
SCHEMBL19714693 0.96 SLC6A3 (0.85) SLC6A3TRPM7DAGLACNR2APP
Cannabigerolic Acid SCHEMBL29611010 0.95 SLC6A3 (1.00) SLC6A3TRPM7DAGLACNR2APP
Cannabigerolic Acid SCHEMBL30010661 0.95 SLC6A3 (1.00) SLC6A3TRPM7DAGLACNR2APP
Cannabigerolic Acid SCHEMBL29489281 0.95 SLC6A3 (1.00) SLC6A3TRPM7DAGLACNR2APP
Cannabigerolic Acid SCHEMBL16429144 0.95 SLC6A3 (1.00) SLC6A3TRPM7DAGLACNR2APP
Cannabigerolic Acid SCHEMBL9909324 0.95 SLC6A3 (1.00) SLC6A3TRPM7DAGLACNR2APP

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-110914416-B Microorganism and method for producing cannabinoids and cannabinoid derivatives 加州大学董事会 2023-07-21 — — CN disclosed
Send feedback