SCHEMBL31289413

SCHEMBL31289413

CCC(C)C(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FASN P49327 1/20 0.38
▸ PLA2G2A P14555 1/20 0.33
▸ HIF1A Q16665 5/20 0.33
▸ EPAS1 Q99814 5/20 0.33
▸ FBP1 P09467 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ PTGES O14684 1/20 0.30

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
SCHEMBL4742767 0.89 FASN (0.41) LMNAMEN1MAPTKMT2AFASN
SCHEMBL29658271 0.89 FASN (0.41) LMNAMEN1MAPTKMT2AFASN
SCHEMBL31578094 0.88 FASN (0.37) LMNAFASNPLA2G2AFFAR1PTGES
SCHEMBL29720143 0.86 FASN (0.53) LMNAMEN1TP53MAPTMAPK1
SCHEMBL30898483 0.86 FASN (0.53) LMNAMEN1TP53MAPTMAPK1
SCHEMBL29929146 0.83 FASN (0.43) LMNAMEN1TP53MAPTMAPK1
SCHEMBL29906159 0.83 FASN (0.43) LMNAMEN1TP53MAPTMAPK1
SCHEMBL29929098 0.83 FASN (0.43) LMNAMEN1TP53MAPTMAPK1
SCHEMBL30550426 0.78 FASN (0.44) LMNAMEN1TP53MAPTMAPK1
SCHEMBL31232358 0.76 FASN (0.50) LMNAFASNPLA2G2AFFAR1

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-2024262570-A1 ORAL COMPOSITION, METHOD FOR MASKING BITTERNESS IN ORAL COMPOSITION, AND METHOD FOR PRODUCING ORAL COMPOSITION 株式会社ファンケル 2024-12-26 — — WO disclosed
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