SCHEMBL28872292

SCHEMBL28872292

N#CCCOC(=O)C1CCN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL18130836 0.88 GAA (0.39) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL18130839 0.79 SMN1; SMN2 (0.43) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL21411461 0.76 ALDH1A1 (0.62) ALDH1A1MAPTHTTGAAKDM4E
SCHEMBL3837485 0.76 TAAR1 (0.33) KMT2A
SCHEMBL28549878 0.74 PAX8 (0.39) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL28501406 0.74 ALDH1A1 (0.44) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL28250542 0.74 ALDH1A1 (0.44) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4487969 0.73 ALDH1A1 (0.47) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL28249805 0.72 ALDH1A1 (0.46) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL2484547 0.71 SMN1; SMN2 (0.59) ALDH1A1HTTNPC1TSHRRAB9A

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-109562113-A Spirocyclo-rongeur for target protein degradation C4医药公司 2019-04-02 CN disclosed