SCHEMBL21913602

SCHEMBL21913602

CCCc1ccc(C/C=C(\C)CCC=C(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.51
▸ PPARG P37231 3/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ TRPV1 Q8NER1 2/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ TRPA1 O75762 1/20 0.51
▸ INHA P05111 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ TRPV3 Q8NET8 1/20 0.51
▸ TRPV4 Q9HBA0 1/20 0.51
▸ TRPV2 Q9Y5S1 1/20 0.51
▸ MAOB P27338 6/20 0.48
▸ APP P05067 3/20 0.48
▸ BACE1 P56817 3/20 0.48
▸ PTPN1 P18031 2/20 0.48

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
SCHEMBL21365936 0.86 PPARG (0.61) CNR2PPARGCNR1TRPV1SLC6A3
SCHEMBL17345392 0.80 PPARG (0.70) CNR2PPARGCNR1TRPV1SLC6A3
SCHEMBL13234693 0.78 PPARG (0.75) CNR2PPARGCNR1TRPV1SLC6A3
SCHEMBL21471157 0.77 PPARG (0.56) CNR2PPARGCNR1TRPV1SLC6A3
SCHEMBL17329461 0.76 PPARG (0.82) CNR2PPARGCNR1TRPV1SLC6A3
SCHEMBL6856702 0.76 PPARG (0.82) CNR2PPARGCNR1TRPV1SLC6A3
SCHEMBL28432644 0.75 PTGS1 (0.52) PPARGMAOBAPPBACE1PTPN1
SCHEMBL27274161 0.74 PPARG (0.59) CNR2PPARGCNR1TRPV1SLC6A3
SCHEMBL15970581 0.73 MAOB (0.57) MAOBAPPBACE1PTPN1OSBP
SCHEMBL14248819 0.73 MAOB (0.65) CNR2CNR1TRPV1MAOBAPP

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-2020056344-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF POVIVA TEA, LLC (US) 2020-03-19 — — WO disclosed
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