SCHEMBL29329258

SCHEMBL29329258

COC(=O)CCC(=O)NCc1cc(CO)cc(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 1/20 0.40
RAB9A P51151 1/20 0.40
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL19463711 0.93 ALDH1A1 (0.47) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL30910300 0.93 ALDH1A1 (0.47) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL29329260 0.93 TSHR (0.47) TSHRALDH1A1NPC1LMNATP53
SCHEMBL28349111 0.89 ALDH1A1 (0.48) TSHRALDH1A1NPC1MEN1KMT2A
Lithium Ion SCHEMBL19463291 0.86 ALDH1A1 (0.46) TSHRALDH1A1NPC1MEN1KMT2A
Lithium Ion SCHEMBL30910318 0.86 ALDH1A1 (0.46) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL29329240 0.83 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL19463055 0.83 HDAC8 (0.47) TSHRALDH1A1HTTLMNAKMT2A
SCHEMBL29329256 0.80 MAPT (0.44) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL28346466 0.78 KMT2A (0.47) TSHRALDH1A1NPC1LMNAMEN1

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