SCHEMBL30380554

SCHEMBL30380554

CNCCOCCOCCOCCOCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DGAT1 O75907 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL30380292 1.00 CA14 (0.36) CA14KDM4EALDH1A1GAAMEN1
SCHEMBL30380396 1.00 CA14 (0.36) CA14KDM4EALDH1A1GAAMEN1
SCHEMBL30380680 1.00 CA14 (0.36) CA14KDM4EALDH1A1GAAMEN1
SCHEMBL30381232 1.00 CA14 (0.36) CA14KDM4EALDH1A1GAAMEN1
SCHEMBL24701120 0.86 CA14 (0.35) CA14KDM4EALDH1A1GAAMEN1
SCHEMBL19243675 0.86 CA14 (0.35) CA14KDM4EALDH1A1GAAMEN1
SCHEMBL18739284 0.84 CA14 (0.36) CA14KDM4EALDH1A1GAAL3MBTL1
SCHEMBL2543733 0.83 CA14 (0.41) CA14GAAMEN1KMT2ADGAT1
SCHEMBL20365461 0.81 NR1I2 (0.36) CA14DGAT1L3MBTL1BLMPMP22
SCHEMBL30244620 0.81 MEN1 (0.39) CA14ALDH1A1MEN1KMT2ADGAT1

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-2023059583-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed