SCHEMBL31345797

SCHEMBL31345797

CC(C)=CCC1=C(O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)c3ccccc3)(C1=O)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 6/20 0.60
▸ SIRT2 Q8IXJ6 5/20 0.60
▸ PTGES O14684 3/20 0.60
▸ SLC6A2 P23975 2/20 0.60
▸ SLC6A4 P31645 2/20 0.60
▸ SLC6A3 Q01959 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ NR1I2 O75469 1/20 0.60
▸ DLAT P10515 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ACHE P22303 4/20 0.48
▸ POLL Q9UGP5 3/20 0.43
▸ EP300 Q09472 3/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ STAT1 P42224 1/20 0.40
▸ MET P08581 2/20 0.40
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL31345913 1.00 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524547 1.00 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524552 1.00 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524546 1.00 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL5598159 0.93 SIRT1 (0.53) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524550 0.93 SIRT1 (0.53) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524549 0.93 SIRT1 (0.53) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524556 0.88 SIRT1 (0.52) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL31345891 0.86 PTGES (0.52) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524558 0.84 SIRT1 (0.51) SIRT1SIRT2PTGESSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 — — WO claimed
WO-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 — — WO disclosed
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