SCHEMBL9236716

SCHEMBL9236716

CC(C)(C)OC(=O)CCC(NC(=O)CCCCCCCN)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.48
▸ SLC6A5 Q9Y345 1/20 0.43
▸ NMT1 P30419 5/20 0.40
▸ NMT2 O60551 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ NOD1 Q9Y239 5/20 0.40
▸ DNM1 Q05193 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38

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
SCHEMBL24235669 1.00 KMT2A (0.53) KMT2APOLBSLC6A5NMT1NMT2
SCHEMBL9088322 1.00 KMT2A (0.53) KMT2APOLBSLC6A5NMT1NMT2
SCHEMBL20450608 0.94 SLC6A5 (0.47) KMT2APOLBSLC6A5NMT1NMT2
SCHEMBL20450607 0.94 SLC6A5 (0.47) KMT2APOLBSLC6A5NMT1NMT2
SCHEMBL20341486 0.90 KMT2A (0.46) KMT2APOLBSLC6A5NMT1NMT2
SCHEMBL20263699 0.89 KMT2A (0.46) KMT2APOLBL3MBTL1NOD1
SCHEMBL21523354 0.89 KMT2A (0.46) KMT2APOLBL3MBTL1NOD1
SCHEMBL20263696 0.89 KMT2A (0.46) KMT2APOLBL3MBTL1NOD1
SCHEMBL22247624 0.88 KMT2A (0.43) KMT2APOLBSLC6A5NMT1NMT2
SCHEMBL22228935 0.88 KMT2A (0.43) KMT2APOLBSLC6A5NMT1NMT2

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
EP-0641776-A2 Thioglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-08 — — EP disclosed
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