SCHEMBL29329240

SCHEMBL29329240

COC(=O)CC(=O)Nc1cc(CO)cc(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
KLK7 P49862 1/20 0.42
MEN1 O00255 1/20 0.42
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
KIF11 P52732 1/20 0.40
NLRP3 Q96P20 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL29329256 0.93 MAPT (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL19463055 0.89 HDAC8 (0.47) ALDH1A1MAPTL3MBTL1KMT2AHTT
SCHEMBL29329238 0.88 ALDH1A1 (0.42) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL28346466 0.86 KMT2A (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
Lithium Ion SCHEMBL19464083 0.84 KMT2A (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL29329258 0.83 TSHR (0.46) ALDH1A1RAB9AKMT2AMEN1PLAU
SCHEMBL19463711 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL30910300 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL19463046 0.80 KIF11 (0.43) RAB9AKIF11
SCHEMBL16618219 0.80 CYP1A2 (0.38) SMN1; SMN2KMT2APLAUELANEKIF11

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
US-12043833-B2 Targeted compositions ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed