SCHEMBL30880719

SCHEMBL30880719

CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)C=Cc2c(CC(=O)O)ccc(O)c2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.55
▸ PTPN1 P18031 3/20 0.55
▸ NR1H4 Q96RI1 2/20 0.52
▸ BACE1 P56817 2/20 0.52
▸ SLC6A2 P23975 2/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ TRPV3 Q8NET8 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ TRPV2 Q9Y5S1 1/20 0.42

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
SCHEMBL27765790 0.82 MAPT (0.49) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL31297041 0.76 CTSK (0.52) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL17549834 0.76 CTSK (0.52) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL27874620 0.76 CTSK (0.52) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL27160318 0.75 APP (0.63) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL27160316 0.75 APP (0.63) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL27160317 0.75 APP (0.63) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL27414830 0.75 APP (0.63) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL29519612 0.73 APP (0.64) APPPTPN1NR1H4BACE1SLC6A2
SCHEMBL27417832 0.73 APP (0.58) APPPTPN1NR1H4BACE1SLC6A2

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-117903101-A Poly-isopentenyl phenol compound and preparation method and application thereof 河北师范大学 2024-04-19 — — CN disclosed
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