SCHEMBL30385256

SCHEMBL30385256

C=CCC(C)=CCCOc1ccc(C=O)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
NPSR1 Q6W5P4 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TACR2 P21452 1/20 0.49
FDPS P14324 1/20 0.49
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL25191437 1.00 ALDH1A1 (0.54) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL25189786 0.88 ALDH1A1 (0.58) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL30385552 0.88 ALDH1A1 (0.58) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL30385144 0.87 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL25192079 0.87 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL25192060 0.87 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL30385393 0.86 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL25265284 0.86 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL25188731 0.86 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTHPGDTDP1
SCHEMBL25187353 0.84 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419497-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS Givaudan SA (CH) 2024-08-28 EP disclosed
CN-118119588-A Precursors for phenolic aromatic compounds 奇华顿股份有限公司 2024-05-31 CN disclosed
WO-2023083576-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2023-05-19 WO disclosed
WO-2023065200-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-04-27 WO disclosed