SCHEMBL28852849

SCHEMBL28852849

CC(C)=CCc1ccccc1C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.50
▸ PTGER3 P43115 2/20 0.50
▸ PTGER2 P43116 2/20 0.50
▸ PTGS2 P35354 3/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ TRPA1 O75762 2/20 0.47
▸ AKR1C3 P42330 3/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ NFE2L2 Q16236 3/20 0.43
▸ AKR1B10 O60218 2/20 0.43
▸ AKR1B1 P15121 2/20 0.43
▸ CHAT P28329 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ GLA P06280 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
SCHEMBL4822390 0.87 PPARG (0.62) PTGER4PTGER3PTGER2PTGS1PPARG
SCHEMBL4822382 0.87 PPARG (0.62) PTGER4PTGER3PTGER2PTGS1PPARG
SCHEMBL28852820 0.87 PPARG (0.62) PTGER4PTGER3PTGER2PTGS1PPARG
SCHEMBL21115986 0.83 PTGS2 (0.49) PTGS2PTGS1TRPA1AKR1C3AKR1C2
Hydroquinone SCHEMBL7592245 0.82 PPARG (0.60) PPARGPPARAMAOB
Hydroquinone SCHEMBL7592243 0.82 PPARG (0.60) PPARGPPARAMAOB
SCHEMBL28917393 0.82 PTGS1 (0.41) PTGER4PTGER3PTGER2PTGS2PTGS1
SCHEMBL3123182 0.80 PTGER3 (0.63) PTGER4PTGER3PTGER2AKR1C3AKR1C2
SCHEMBL8661726 0.77 XPO1 (0.49) PTGS2PTGS1AKR1C3AKR1C2AKR1B10
SCHEMBL20702259 0.77 HTT (0.45) PTGS2PTGS1AKR1C3AKR1B10AKR1B1

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-112789505-B Biosynthetic platforms for the production of cannabinoids and other prenylated compounds 加利福尼亚大学董事会 2024-04-09 — — CN disclosed
CN-115003823-A Biosynthetic platform for the production of cannabinoids and other prenylated compounds 加利福尼亚大学董事会 2022-09-02 — — CN disclosed
CN-112789505-A Biosynthetic platform for the production of cannabinoids and other prenylated compounds 加利福尼亚大学董事会 2021-05-11 — — CN disclosed
Send feedback