SCHEMBL26113751

SCHEMBL26113751

CCOC(=O)C(CO)CC=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
CPB2 Q96IY4 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL918077 0.89 ALDH1A1 (0.42) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL4056303 0.85 ALDH1A1 (0.39) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL3316813 0.82 ALDH1A1 (0.48) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL28091205 0.82 HDAC1 (0.41) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL16063917 0.82 HDAC1 (0.41) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL812437 0.81 CA1 (0.39) MEN1KMT2ASMN1; SMN2MET
SCHEMBL7842786 0.80 MGAM (0.41) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL27785785 0.80 MEN1 (0.42) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL6738634 0.78 ALDH1A1 (0.43) ALDH1A1MEN1NPC1KMT2ACPB2
SCHEMBL27325769 0.78 ALDH1A1 (0.43) ALDH1A1MEN1NPC1KMT2ACPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259812-A1 METHOD FOR THE PREPARATION OF FRAMBINONE SPECIALTY OPERATIONS FRANCE (FR) 2023-10-18 EP disclosed
EP-4255879-A1 METHOD FOR PRODUCING FRAMBINONE RHODIA OPERATIONS (FR) 2023-10-11 EP disclosed
CN-116615407-A Method for producing raspberry ketone 罗地亚经营管理公司 2023-08-18 CN disclosed