SCHEMBL31065733

SCHEMBL31065733

CCCCCCCCCCCCCCCc1ccc(C(=O)O)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 1.00
PPARG P37231 1/20 1.00
KAT8 Q9H7Z6 2/20 0.62
RARB P10826 3/20 0.57
RARA P10276 1/20 0.57
RARG P13631 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
AGTR1 P30556 1/20 0.53
AGTR2 P50052 1/20 0.53
PLK1 P53350 1/20 0.52
PLK3 Q9H4B4 1/20 0.52

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
SCHEMBL3298521 1.00 PPARA (1.00) PPARAPPARGKAT8RARBRARA
SCHEMBL20504238 1.00 PPARA (1.00) PPARAPPARGKAT8RARBRARA
SCHEMBL7799996 0.94 PPARA (0.89) PPARAPPARGKAT8RARBRARA
SCHEMBL27574772 0.88 PPARA (0.79) PPARAPPARGKAT8RARBRARA
SCHEMBL27574931 0.88 PPARA (0.79) PPARAPPARGKAT8RARBRARA
SCHEMBL27576837 0.88 PPARA (0.79) PPARAPPARGKAT8RARBRARA
SCHEMBL27592938 0.88 PPARA (0.79) PPARAPPARGKAT8RARBRARA
SCHEMBL11731466 0.88 PPARA (0.79) PPARAPPARGKAT8RARBRARA
SCHEMBL27592890 0.88 PPARA (0.79) PPARAPPARGKAT8RARBRARA
SCHEMBL3963370 0.88 PPARA (0.78) PPARAPPARGCYP1A2CYP3A4CYP2C8

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-118743447-A Potato natto and preparation method thereof 贵州大学 2024-10-08 CN disclosed